3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide

C108H99FN20O20 — CID 173204820

IUPAC3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide
SMILESCOc1ccc(CN)cc1.COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(-c4nc(C)no4)cc2)c(=O)n3C)cc1.COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(-c4nn[nH]n4)cc2)c(=O)n3C)cc1.COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(-c4noc(C)n4)cc2)c(=O)n3C)cc1.COc1ccc(Cn2c(=O)c3cc(C(=O)O)ccc3n(C)c2=O)cc1F
InChIInChI=1S/2C28H25N5O5.C26H23N7O4.C18H15FN2O5.C8H11NO/c1-17-30-26(38-31-17)20-8-4-19(5-9-20)16-33-27(35)23-14-21(10-13-24(23)32(2)28(33)36)25(34)29-15-18-6-11-22(37-3)12-7-18;1-17-30-25(31-38-17)20-8-4-19(5-9-20)16-33-27(35)23-14-21(10-13-24(23)32(2)28(33)36)26(34)29-15-18-6-11-22(37-3)12-7-18;1-32-22-12-9-19(24(34)27-14-16-5-10-20(37-2)11-6-16)13-21(22)25(35)33(26(32)36)15-17-3-7-18(8-4-17)23-28-30-31-29-23;1-20-14-5-4-11(17(23)24)8-12(14)16(22)21(18(20)25)9-10-3-6-15(26-2)13(19)7-10;1-10-8-4-2-7(6-9)3-5-8/h2*4-14H,15-16H2,1-3H3,(H,29,34);3-13H,14-15H2,1-2H3,(H,27,34)(H,28,29,30,31);3-8H,9H2,1-2H3,(H,23,24);2-5H,6,9H2,1H3
InChIKeyVRJBOBRYWAMAJV-UHFFFAOYSA-N
MW2016.10 g/mol
LogP10.71
Rot. Bonds27

About 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide

3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide (PubChem CID 173204820) has the molecular formula C108H99FN20O20 and a molecular weight of 2016.10 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide
PubChem CID173204820
Molecular FormulaC108H99FN20O20
Molecular Weight2016.10 g/mol
Exact Mass2014.73
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide
SMILESCOc1ccc(CN)cc1.COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(-c4nc(C)no4)cc2)c(=O)n3C)cc1.COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(-c4nn[nH]n4)cc2)c(=O)n3C)cc1.COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(-c4noc(C)n4)cc2)c(=O)n3C)cc1.COc1ccc(Cn2c(=O)c3cc(C(=O)O)ccc3n(C)c2=O)cc1F
InChIInChI=1S/2C28H25N5O5.C26H23N7O4.C18H15FN2O5.C8H11NO/c1-17-30-26(38-31-17)20-8-4-19(5-9-20)16-33-27(35)23-14-21(10-13-24(23)32(2)28(33)36)25(34)29-15-18-6-11-22(37-3)12-7-18;1-17-30-25(31-38-17)20-8-4-19(5-9-20)16-33-27(35)23-14-21(10-13-24(23)32(2)28(33)36)26(34)29-15-18-6-11-22(37-3)12-7-18;1-32-22-12-9-19(24(34)27-14-16-5-10-20(37-2)11-6-16)13-21(22)25(35)33(26(32)36)15-17-3-7-18(8-4-17)23-28-30-31-29-23;1-20-14-5-4-11(17(23)24)8-12(14)16(22)21(18(20)25)9-10-3-6-15(26-2)13(19)7-10;1-10-8-4-2-7(6-9)3-5-8/h2*4-14H,15-16H2,1-3H3,(H,29,34);3-13H,14-15H2,1-2H3,(H,27,34)(H,28,29,30,31);3-8H,9H2,1-2H3,(H,23,24);2-5H,6,9H2,1H3
InChIKeyVRJBOBRYWAMAJV-UHFFFAOYSA-N
XLogP10.71
TPSA505.07 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002016.10
LogP ≤ 510.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide (CID 173204820) is 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide is COc1ccc(CN)cc1.COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(-c4nc(C)no4)cc2)c(=O)n3C)cc1.COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(-c4nn[nH]n4)cc2)c(=O)n3C)cc1.COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(-c4noc(C)n4)cc2)c(=O)n3C)cc1.COc1ccc(Cn2c(=O)c3cc(C(=O)O)ccc3n(C)c2=O)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide?
The InChIKey is VRJBOBRYWAMAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H25N5O5.C26H23N7O4.C18H15FN2O5.C8H11NO/c1-17-30-26(38-31-17)20-8-4-19(5-9-20)16-33-27(35)23-14-21(10-13-24(23)32(2)28(33)36)25(34)29-15-18-6-11-22(37-3)12-7-18;1-17-30-25(31-38-17)20-8-4-19(5-9-20)16-33-27(35)23-14-21(10-13-24(23)32(2)28(33)36)26(34)29-15-18-6-11-22(37-3)12-7-18;1-32-22-12-9-19(24(34)27-14-16-5-10-20(37-2)11-6-16)13-21(22)25(35)33(26(32)36)15-17-3-7-18(8-4-17)23-28-30-31-29-23;1-20-14-5-4-11(17(23)24)8-12(14)16(22)21(18(20)25)9-10-3-6-15(26-2)13(19)7-10;1-10-8-4-2-7(6-9)3-5-8/h2*4-14H,15-16H2,1-3H3,(H,29,34);3-13H,14-15H2,1-2H3,(H,27,34)(H,28,29,30,31);3-8H,9H2,1-2H3,(H,23,24);2-5H,6,9H2,1H3.
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide?
3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide has a molecular weight of 2016.10 g/mol, XLogP of 10.71, 27 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxylic acid;(4-methoxyphenyl)methanamine;N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[[4-(2H-tetrazol-5-yl)phenyl]methyl]quinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide;N-[(4-methoxyphenyl)methyl]-1-methyl-3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2,4-dioxoquinazoline-6-carboxamide is sourced from PubChem (CID 173204820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).