N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide

C18H16ClN3O2 — CID 7354491

IUPACN-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide
SMILESO=C1C[C@H](c2cccc(Cl)c2)Cc2nc(NC(=O)C3CC3)ncc21
InChIInChI=1S/C18H16ClN3O2/c19-13-3-1-2-11(6-13)12-7-15-14(16(23)8-12)9-20-18(21-15)22-17(24)10-4-5-10/h1-3,6,9-10,12H,4-5,7-8H2,(H,20,21,22,24)/t12-/m1/s1
InChIKeyGUPATAQTYHBHJO-GFCCVEGCSA-N
MW341.80 g/mol
LogP3.39
Rot. Bonds3

About N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide

N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide (PubChem CID 7354491) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide
PubChem CID7354491
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide
SMILESO=C1C[C@H](c2cccc(Cl)c2)Cc2nc(NC(=O)C3CC3)ncc21
InChIInChI=1S/C18H16ClN3O2/c19-13-3-1-2-11(6-13)12-7-15-14(16(23)8-12)9-20-18(21-15)22-17(24)10-4-5-10/h1-3,6,9-10,12H,4-5,7-8H2,(H,20,21,22,24)/t12-/m1/s1
InChIKeyGUPATAQTYHBHJO-GFCCVEGCSA-N
XLogP3.39
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-nitrobenzamide
CID 4919434
3-chloro-N-[(7R)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 2016919
7-(3-chlorophenyl)-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 17168355
(7S)-7-(3-chlorophenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-7,8-dihydro-6H-quinazolin-5-one
CID 2040784
N-[(7S)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 831476
2-chloro-N-[7-(4-fluorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 3887888
(7R)-7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
CID 7174856
2-(4-chlorophenyl)sulfanyl-N-[(7S)-5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 1491873
N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3834422
2-chloro-N-[(7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
CID 40968935
N-[(7R)-7-(4-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-4-nitrobenzamide
CID 1423115
(7R)-2-(cyclopentylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 7342529

Frequently Asked Questions

What is the IUPAC name of N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide (CID 7354491) is N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide is O=C1C[C@H](c2cccc(Cl)c2)Cc2nc(NC(=O)C3CC3)ncc21.
What is the InChIKey of N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide?
The InChIKey is GUPATAQTYHBHJO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-13-3-1-2-11(6-13)12-7-15-14(16(23)8-12)9-20-18(21-15)22-17(24)10-4-5-10/h1-3,6,9-10,12H,4-5,7-8H2,(H,20,21,22,24)/t12-/m1/s1.
What are the key properties of N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide?
N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-7-(3-chlorophenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 7354491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).