N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C25H25N3O4 — CID 46433793

IUPACN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCc3cccc(COCc4ccco4)c3)cnc12
InChIInChI=1S/C25H25N3O4/c1-18-5-2-9-22-24(18)27-17-28(25(22)30)11-10-23(29)26-14-19-6-3-7-20(13-19)15-31-16-21-8-4-12-32-21/h2-9,12-13,17H,10-11,14-16H2,1H3,(H,26,29)
InChIKeyMXGSYHTXLCBWKH-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.72
Rot. Bonds9

About N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 46433793) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID46433793
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)NCc3cccc(COCc4ccco4)c3)cnc12
InChIInChI=1S/C25H25N3O4/c1-18-5-2-9-22-24(18)27-17-28(25(22)30)11-10-23(29)26-14-19-6-3-7-20(13-19)15-31-16-21-8-4-12-32-21/h2-9,12-13,17H,10-11,14-16H2,1H3,(H,26,29)
InChIKeyMXGSYHTXLCBWKH-UHFFFAOYSA-N
XLogP3.72
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 34454596
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 24682780
2-(2,6-dimethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 46470415
N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 39228693
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 55661006
N-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 55662614
N-[(2,5-dimethoxyphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 33104099
N-(furan-2-ylmethyl)-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 17497766
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 42947647
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 39394609
N-[2-(4-ethoxyphenoxy)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 24559975

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 46433793) is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc2c(=O)n(CCC(=O)NCc3cccc(COCc4ccco4)c3)cnc12.
What is the InChIKey of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is MXGSYHTXLCBWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-18-5-2-9-22-24(18)27-17-28(25(22)30)11-10-23(29)26-14-19-6-3-7-20(13-19)15-31-16-21-8-4-12-32-21/h2-9,12-13,17H,10-11,14-16H2,1H3,(H,26,29).
What are the key properties of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 431.49 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 46433793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).