(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one

C21H19N5O2 — CID 95211804

IUPAC(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](c2cn[nH]c2-c2ccccc2)c2ccc(N3CCNC3=O)cc2N1
InChIInChI=1S/C21H19N5O2/c27-19-11-16(17-12-23-25-20(17)13-4-2-1-3-5-13)15-7-6-14(10-18(15)24-19)26-9-8-22-21(26)28/h1-7,10,12,16H,8-9,11H2,(H,22,28)(H,23,25)(H,24,27)/t16-/m1/s1
InChIKeyKPMQOQKKQJIWEI-MRXNPFEDSA-N
MW373.42 g/mol
LogP3.08
Rot. Bonds3

About (4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one

(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95211804) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is (4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID95211804
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](c2cn[nH]c2-c2ccccc2)c2ccc(N3CCNC3=O)cc2N1
InChIInChI=1S/C21H19N5O2/c27-19-11-16(17-12-23-25-20(17)13-4-2-1-3-5-13)15-7-6-14(10-18(15)24-19)26-9-8-22-21(26)28/h1-7,10,12,16H,8-9,11H2,(H,22,28)(H,23,25)(H,24,27)/t16-/m1/s1
InChIKeyKPMQOQKKQJIWEI-MRXNPFEDSA-N
XLogP3.08
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one (CID 95211804) is (4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H](c2cn[nH]c2-c2ccccc2)c2ccc(N3CCNC3=O)cc2N1.
What is the InChIKey of (4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KPMQOQKKQJIWEI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-19-11-16(17-12-23-25-20(17)13-4-2-1-3-5-13)15-7-6-14(10-18(15)24-19)26-9-8-22-21(26)28/h1-7,10,12,16H,8-9,11H2,(H,22,28)(H,23,25)(H,24,27)/t16-/m1/s1.
What are the key properties of (4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one?
(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 373.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95211804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).