(3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one

C19H18N4O — CID 95048016

IUPAC(3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one
SMILESO=C1NCCC[C@H]1Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H18N4O/c24-19-16(11-6-12-20-19)22-18-14-9-4-5-10-15(14)21-17(23-18)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,20,24)(H,21,22,23)/t16-/m1/s1
InChIKeyHXBCSXCDSYVMCN-MRXNPFEDSA-N
MW318.38 g/mol
LogP2.99
Rot. Bonds3

About (3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one

(3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one (PubChem CID 95048016) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one
PubChem CID95048016
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one
SMILESO=C1NCCC[C@H]1Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H18N4O/c24-19-16(11-6-12-20-19)22-18-14-9-4-5-10-15(14)21-17(23-18)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,20,24)(H,21,22,23)/t16-/m1/s1
InChIKeyHXBCSXCDSYVMCN-MRXNPFEDSA-N
XLogP2.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one?
The IUPAC name of (3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one (CID 95048016) is (3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for (3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one?
The canonical SMILES for (3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one is O=C1NCCC[C@H]1Nc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of (3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one?
The InChIKey is HXBCSXCDSYVMCN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19-16(11-6-12-20-19)22-18-14-9-4-5-10-15(14)21-17(23-18)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,20,24)(H,21,22,23)/t16-/m1/s1.
What are the key properties of (3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one?
(3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one has a molecular weight of 318.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-phenylquinazolin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 95048016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).