N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide

C19H19N3O2 — CID 9008576

IUPACN-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1
InChIInChI=1S/C19H19N3O2/c1-12(23)20-14-8-6-13(7-9-14)18-21-17-5-3-2-4-16(17)19(24)22(18)15-10-11-15/h2-9,15,18,21H,10-11H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyPFNBAOQECHKZOB-GOSISDBHSA-N
MW321.38 g/mol
LogP3.37
Rot. Bonds3

About N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide

N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide (PubChem CID 9008576) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
PubChem CID9008576
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1
InChIInChI=1S/C19H19N3O2/c1-12(23)20-14-8-6-13(7-9-14)18-21-17-5-3-2-4-16(17)19(24)22(18)15-10-11-15/h2-9,15,18,21H,10-11H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyPFNBAOQECHKZOB-GOSISDBHSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide (CID 9008576) is N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1.
What is the InChIKey of N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
The InChIKey is PFNBAOQECHKZOB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12(23)20-14-8-6-13(7-9-14)18-21-17-5-3-2-4-16(17)19(24)22(18)15-10-11-15/h2-9,15,18,21H,10-11H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide?
N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide is sourced from PubChem (CID 9008576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).