N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide

C20H22N4O4 — CID 166238740

IUPACN-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cc2ncn(CC(=O)NCc3cc(C)cc(N)c3)c(=O)c2cc1OC
InChIInChI=1S/C20H22N4O4/c1-12-4-13(6-14(21)5-12)9-22-19(25)10-24-11-23-16-8-18(28-3)17(27-2)7-15(16)20(24)26/h4-8,11H,9-10,21H2,1-3H3,(H,22,25)
InChIKeyBRTYSNIWDARCOZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.62
Rot. Bonds6

About N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide

N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide (PubChem CID 166238740) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
PubChem CID166238740
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
SMILESCOc1cc2ncn(CC(=O)NCc3cc(C)cc(N)c3)c(=O)c2cc1OC
InChIInChI=1S/C20H22N4O4/c1-12-4-13(6-14(21)5-12)9-22-19(25)10-24-11-23-16-8-18(28-3)17(27-2)7-15(16)20(24)26/h4-8,11H,9-10,21H2,1-3H3,(H,22,25)
InChIKeyBRTYSNIWDARCOZ-UHFFFAOYSA-N
XLogP1.62
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 46484361
2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 74836650
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41041007
N-(tert-butylsulfamoyl)-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 166393120
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide
CID 29147907
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 71703841
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 91638290
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide
CID 124860372
2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide
CID 74587709
(2S,3S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 29147706
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 45493274

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide (CID 166238740) is N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide is COc1cc2ncn(CC(=O)NCc3cc(C)cc(N)c3)c(=O)c2cc1OC.
What is the InChIKey of N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is BRTYSNIWDARCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-4-13(6-14(21)5-12)9-22-19(25)10-24-11-23-16-8-18(28-3)17(27-2)7-15(16)20(24)26/h4-8,11H,9-10,21H2,1-3H3,(H,22,25).
What are the key properties of N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide?
N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-5-methylphenyl)methyl]-2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 166238740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).