N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide

C21H23N3O4 — CID 39338198

IUPACN-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
SMILESCOc1cc2ncn(CCC(=O)N(C)Cc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C21H23N3O4/c1-23(13-15-7-5-4-6-8-15)20(25)9-10-24-14-22-17-12-19(28-3)18(27-2)11-16(17)21(24)26/h4-8,11-12,14H,9-10,13H2,1-3H3
InChIKeyMWVDWHNAKFRUNF-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.46
Rot. Bonds7

About N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide

N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide (PubChem CID 39338198) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
PubChem CID39338198
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide
SMILESCOc1cc2ncn(CCC(=O)N(C)Cc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C21H23N3O4/c1-23(13-15-7-5-4-6-8-15)20(25)9-10-24-14-22-17-12-19(28-3)18(27-2)11-16(17)21(24)26/h4-8,11-12,14H,9-10,13H2,1-3H3
InChIKeyMWVDWHNAKFRUNF-UHFFFAOYSA-N
XLogP2.46
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylbutanamide
CID 46470686
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 46685244
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'-(2-phenylacetyl)butanehydrazide
CID 46520770
3-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxyquinazolin-4-one
CID 39035249
N-[(4-fluorophenyl)methyl]-N-methyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272205
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
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
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 38046402
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 46666783
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 51272719

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide (CID 39338198) is N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide is COc1cc2ncn(CCC(=O)N(C)Cc3ccccc3)c(=O)c2cc1OC.
What is the InChIKey of N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide?
The InChIKey is MWVDWHNAKFRUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-23(13-15-7-5-4-6-8-15)20(25)9-10-24-14-22-17-12-19(28-3)18(27-2)11-16(17)21(24)26/h4-8,11-12,14H,9-10,13H2,1-3H3.
What are the key properties of N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide?
N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide has a molecular weight of 381.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-methylpropanamide is sourced from PubChem (CID 39338198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).