2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide

C19H18ClN3O2 — CID 5011290

IUPAC2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(2)13-3-6-15(7-4-13)22-18(24)10-23-11-21-17-8-5-14(20)9-16(17)19(23)25/h3-9,11-12H,10H2,1-2H3,(H,22,24)
InChIKeyQDNIJXDRWBBVAG-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.81
Rot. Bonds4

About 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 5011290) 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-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID5011290
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C19H18ClN3O2/c1-12(2)13-3-6-15(7-4-13)22-18(24)10-23-11-21-17-8-5-14(20)9-16(17)19(23)25/h3-9,11-12H,10H2,1-2H3,(H,22,24)
InChIKeyQDNIJXDRWBBVAG-UHFFFAOYSA-N
XLogP3.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2S)-butan-2-yl]phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7587529
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
N-(4-chloro-2-methylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 3475689
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 8005577
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7488140
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7488402
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7587615
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 9355991
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 78814974
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7488456
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565376
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 8565378

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 5011290) is 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2cnc3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is QDNIJXDRWBBVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12(2)13-3-6-15(7-4-13)22-18(24)10-23-11-21-17-8-5-14(20)9-16(17)19(23)25/h3-9,11-12H,10H2,1-2H3,(H,22,24).
What are the key properties of 2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 355.83 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 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-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 5011290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).