(4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C24H24N4O2 — CID 94613605

IUPAC(4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(Cc3cccc4cccnc34)CC2)c2ccccc2N1
InChIInChI=1S/C24H24N4O2/c29-22-15-20(19-8-1-2-9-21(19)26-22)24(30)28-13-11-27(12-14-28)16-18-6-3-5-17-7-4-10-25-23(17)18/h1-10,20H,11-16H2,(H,26,29)/t20-/m1/s1
InChIKeyAVIAPODHKXHWHP-HXUWFJFHSA-N
MW400.48 g/mol
LogP3.01
Rot. Bonds3

About (4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

(4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 94613605) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID94613605
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCN(Cc3cccc4cccnc34)CC2)c2ccccc2N1
InChIInChI=1S/C24H24N4O2/c29-22-15-20(19-8-1-2-9-21(19)26-22)24(30)28-13-11-27(12-14-28)16-18-6-3-5-17-7-4-10-25-23(17)18/h1-10,20H,11-16H2,(H,26,29)/t20-/m1/s1
InChIKeyAVIAPODHKXHWHP-HXUWFJFHSA-N
XLogP3.01
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 56816786
(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95578987
N,N-diethyl-2-[4-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperazin-1-yl]acetamide
CID 55507256
4-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]-2H-phthalazin-1-one
CID 16622943
2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55616121
4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78835890
2-oxo-N-(2-quinolin-8-yloxyethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 131904231
3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
CID 51336494
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
2-naphthalen-1-yl-N-[2-oxo-2-[4-(quinolin-8-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 16623035
4-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 71880314
4-hydroxy-1-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 119251146

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 94613605) is (4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is O=C1C[C@@H](C(=O)N2CCN(Cc3cccc4cccnc34)CC2)c2ccccc2N1.
What is the InChIKey of (4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AVIAPODHKXHWHP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-22-15-20(19-8-1-2-9-21(19)26-22)24(30)28-13-11-27(12-14-28)16-18-6-3-5-17-7-4-10-25-23(17)18/h1-10,20H,11-16H2,(H,26,29)/t20-/m1/s1.
What are the key properties of (4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
(4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 400.48 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 94613605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).