2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide

C19H18ClN3O2 — CID 7587513

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-3-5-14(6-4-13)10-22(2)18(24)11-23-12-21-17-8-7-15(20)9-16(17)19(23)25/h3-9,12H,10-11H2,1-2H3
InChIKeyNGQROTPSWDWOCO-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.02
Rot. Bonds4

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 7587513) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
PubChem CID7587513
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C19H18ClN3O2/c1-13-3-5-14(6-4-13)10-22(2)18(24)11-23-12-21-17-8-7-15(20)9-16(17)19(23)25/h3-9,12H,10-11H2,1-2H3
InChIKeyNGQROTPSWDWOCO-UHFFFAOYSA-N
XLogP3.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4809057
3-(6-bromo-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 38046402
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7488484
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclopenten-1-yl)-N-methylacetamide
CID 53499149
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 27912189
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7488504
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8607699
N-[(3-chlorophenyl)methyl]-N-methyl-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27795386
N-[(3,4-dimethoxyphenyl)methyl]-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 46584153
N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 30936012
2-(6-chloro-4-oxoquinazolin-3-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 30214253

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide (CID 7587513) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CN(C)C(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is NGQROTPSWDWOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-3-5-14(6-4-13)10-22(2)18(24)11-23-12-21-17-8-7-15(20)9-16(17)19(23)25/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 355.83 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 7587513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).