6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

C22H26N4O2 — CID 34310061

IUPAC6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](Nc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H26N4O2/c1-16(23-18-8-9-20-17(15-18)7-10-21(27)24-20)22(28)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-6,8-9,15-16,23H,7,10-14H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyMFSIWJUENAETFP-MRXNPFEDSA-N
MW378.48 g/mol
LogP2.72
Rot. Bonds4

About 6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 34310061) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID34310061
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](Nc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H26N4O2/c1-16(23-18-8-9-20-17(15-18)7-10-21(27)24-20)22(28)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-6,8-9,15-16,23H,7,10-14H2,1H3,(H,24,27)/t16-/m1/s1
InChIKeyMFSIWJUENAETFP-MRXNPFEDSA-N
XLogP2.72
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(2R)-2-methyl-6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-4H-1,4-benzoxazin-3-one
CID 25328815
(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25351776
1-[2-chloro-4-[[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]phenyl]pyrrolidin-2-one
CID 32508446
N-[(2S)-4-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 92707499
2-(4-ethoxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17449282
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
6-[[4-(azepan-1-yl)-4-oxobutan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 75472339
N-benzyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperazine-1-carboxamide
CID 110640813
(2R)-2-(2,5-dimethylanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25340673
2-(4-cyclopentyloxyanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 55572273
6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737991
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 34310061) is 6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MFSIWJUENAETFP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(23-18-8-9-20-17(15-18)7-10-21(27)24-20)22(28)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h2-6,8-9,15-16,23H,7,10-14H2,1H3,(H,24,27)/t16-/m1/s1.
What are the key properties of 6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 34310061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).