6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one

C19H18N4O2 — CID 34308649

IUPAC6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H18N4O2/c1-12(18-22-23-19(25-18)13-5-3-2-4-6-13)20-15-8-9-16-14(11-15)7-10-17(24)21-16/h2-6,8-9,11-12,20H,7,10H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyMDZDKPXOVMFGRC-LBPRGKRZSA-N
MW334.38 g/mol
LogP3.79
Rot. Bonds4

About 6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one

6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 34308649) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID34308649
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H18N4O2/c1-12(18-22-23-19(25-18)13-5-3-2-4-6-13)20-15-8-9-16-14(11-15)7-10-17(24)21-16/h2-6,8-9,11-12,20H,7,10H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyMDZDKPXOVMFGRC-LBPRGKRZSA-N
XLogP3.79
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 97021644
6-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-4H-1,4-benzoxazin-3-one
CID 32968497
6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34308913
6-[1-(4-methyl-2-pyridinyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 126801805
6-[1-(5-ethylthiophen-2-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 61335706
6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737991
6-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 71942292
4-methyl-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 41036756
N-[3-[[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329728
6-[[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34310061
N-methyl-N-[4-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]phenyl]acetamide
CID 71936171
N-[2-methoxy-5-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]methanesulfonamide
CID 37329403

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one (CID 34308649) is 6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one is C[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1nnc(-c2ccccc2)o1.
What is the InChIKey of 6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MDZDKPXOVMFGRC-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(18-22-23-19(25-18)13-5-3-2-4-6-13)20-15-8-9-16-14(11-15)7-10-17(24)21-16/h2-6,8-9,11-12,20H,7,10H2,1H3,(H,21,24)/t12-/m0/s1.
What are the key properties of 6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one?
6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 334.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 34308649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).