4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide

C24H29N3O6 — CID 46685244

IUPAC4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
SMILESCOc1ccc(CN(C)C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C24H29N3O6/c1-26(14-16-8-9-19(30-2)20(11-16)31-3)23(28)7-6-10-27-15-25-18-13-22(33-5)21(32-4)12-17(18)24(27)29/h8-9,11-13,15H,6-7,10,14H2,1-5H3
InChIKeyCXSOSQVIZBDOJE-UHFFFAOYSA-N
MW455.51 g/mol
LogP2.87
Rot. Bonds10

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide (PubChem CID 46685244) has the molecular formula C24H29N3O6 and a molecular weight of 455.51 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
PubChem CID46685244
Molecular FormulaC24H29N3O6
Molecular Weight455.51 g/mol
Exact Mass455.21
IUPAC Name4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
SMILESCOc1ccc(CN(C)C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)cc1OC
InChIInChI=1S/C24H29N3O6/c1-26(14-16-8-9-19(30-2)20(11-16)31-3)23(28)7-6-10-27-15-25-18-13-22(33-5)21(32-4)12-17(18)24(27)29/h8-9,11-13,15H,6-7,10,14H2,1-5H3
InChIKeyCXSOSQVIZBDOJE-UHFFFAOYSA-N
XLogP2.87
TPSA92.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide
CID 46470686
N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
CID 39338198
N-[(5-chlorothiophen-2-yl)methyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylbutanamide
CID 55454878
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 55641428
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017399
N-[(3,4-dimethoxyphenyl)methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 46584153
2-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoyl-propan-2-ylamino]acetic acid
CID 120581059
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272719
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide
CID 55455208
(2,3,6-trimethylphenyl) 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 51476992
N-[3-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-4-oxoquinazolin-7-yl]acetamide
CID 53339983

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide?
The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide (CID 46685244) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide is COc1ccc(CN(C)C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)cc1OC.
What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide?
The InChIKey is CXSOSQVIZBDOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6/c1-26(14-16-8-9-19(30-2)20(11-16)31-3)23(28)7-6-10-27-15-25-18-13-22(33-5)21(32-4)12-17(18)24(27)29/h8-9,11-13,15H,6-7,10,14H2,1-5H3.
What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide?
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide has a molecular weight of 455.51 g/mol, XLogP of 2.87, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 46685244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).