3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide

C132H109ClF6N12O16 — CID 158565815

IUPAC3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide
SMILESCc1cc(F)c2[nH]c(=O)n(-c3cccc(-c4c(Cl)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)c2c1.Cc1cc(F)c2[nH]c(=O)n(-c3cccc(-c4c(F)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)c2c1.Cc1cc(F)c2[nH]c(=O)n(-c3cccc(-c4c(F)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)c2c1.Cc1ccc2c(=O)n(-c3cccc(-c4c(F)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)[nH]c2c1
InChIInChI=1S/C33H27ClFN3O4.2C33H27F2N3O4.C33H28FN3O4/c3*1-15-10-23-29(25(35)11-15)37-32(41)38(31(23)40)26-7-5-6-19(16(26)2)28-24(34)14-22(30(36)39)21-13-17-12-18(33(3,4)42)8-9-20(17)27(21)28;1-16-8-10-22-26(12-16)36-32(40)37(31(22)39)27-7-5-6-20(17(27)2)29-25(34)15-24(30(35)38)23-14-18-13-19(33(3,4)41)9-11-21(18)28(23)29/h3*5-12,14,42H,13H2,1-4H3,(H2,36,39)(H,37,41);5-13,15,41H,14H2,1-4H3,(H2,35,38)(H,36,40)
InChIKeyHRLNYPVKVPAQOJ-UHFFFAOYSA-N
MW2268.83 g/mol
LogP20.93
Rot. Bonds16

About 3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide

3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide (PubChem CID 158565815) has the molecular formula C132H109ClF6N12O16 and a molecular weight of 2268.83 g/mol. Its IUPAC name is 3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide.

Molecular Properties

Compound Name3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide
PubChem CID158565815
Molecular FormulaC132H109ClF6N12O16
Molecular Weight2268.83 g/mol
Exact Mass2266.77
IUPAC Name3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide
SMILESCc1cc(F)c2[nH]c(=O)n(-c3cccc(-c4c(Cl)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)c2c1.Cc1cc(F)c2[nH]c(=O)n(-c3cccc(-c4c(F)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)c2c1.Cc1cc(F)c2[nH]c(=O)n(-c3cccc(-c4c(F)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)c2c1.Cc1ccc2c(=O)n(-c3cccc(-c4c(F)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)[nH]c2c1
InChIInChI=1S/C33H27ClFN3O4.2C33H27F2N3O4.C33H28FN3O4/c3*1-15-10-23-29(25(35)11-15)37-32(41)38(31(23)40)26-7-5-6-19(16(26)2)28-24(34)14-22(30(36)39)21-13-17-12-18(33(3,4)42)8-9-20(17)27(21)28;1-16-8-10-22-26(12-16)36-32(40)37(31(22)39)27-7-5-6-20(17(27)2)29-25(34)15-24(30(35)38)23-14-18-13-19(33(3,4)41)9-11-21(18)28(23)29/h3*5-12,14,42H,13H2,1-4H3,(H2,36,39)(H,37,41);5-13,15,41H,14H2,1-4H3,(H2,35,38)(H,36,40)
InChIKeyHRLNYPVKVPAQOJ-UHFFFAOYSA-N
XLogP20.93
TPSA472.72 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002268.83
LogP ≤ 520.93
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze 3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide?
The IUPAC name of 3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide (CID 158565815) is 3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide.
What is the SMILES notation for 3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide?
The canonical SMILES for 3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide is Cc1cc(F)c2[nH]c(=O)n(-c3cccc(-c4c(Cl)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)c2c1.Cc1cc(F)c2[nH]c(=O)n(-c3cccc(-c4c(F)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)c2c1.Cc1cc(F)c2[nH]c(=O)n(-c3cccc(-c4c(F)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)c2c1.Cc1ccc2c(=O)n(-c3cccc(-c4c(F)cc(C(N)=O)c5c4-c4ccc(C(C)(C)O)cc4C5)c3C)c(=O)[nH]c2c1.
What is the InChIKey of 3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide?
The InChIKey is HRLNYPVKVPAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27ClFN3O4.2C33H27F2N3O4.C33H28FN3O4/c3*1-15-10-23-29(25(35)11-15)37-32(41)38(31(23)40)26-7-5-6-19(16(26)2)28-24(34)14-22(30(36)39)21-13-17-12-18(33(3,4)42)8-9-20(17)27(21)28;1-16-8-10-22-26(12-16)36-32(40)37(31(22)39)27-7-5-6-20(17(27)2)29-25(34)15-24(30(35)38)23-14-18-13-19(33(3,4)41)9-11-21(18)28(23)29/h3*5-12,14,42H,13H2,1-4H3,(H2,36,39)(H,37,41);5-13,15,41H,14H2,1-4H3,(H2,35,38)(H,36,40).
What are the key properties of 3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide?
3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide has a molecular weight of 2268.83 g/mol, XLogP of 20.93, 16 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide;bis(3-fluoro-4-[3-(8-fluoro-6-methyl-2,4-dioxo-1H-quinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-9H-fluorene-1-carboxamide);3-fluoro-7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(7-methyl-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-9H-fluorene-1-carboxamide is sourced from PubChem (CID 158565815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).