6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one

C19H15ClN4OS — CID 122637453

IUPAC6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one
SMILESC[C@H](Nc1nc(-c2cccnc2)cs1)c1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H15ClN4OS/c1-11(15-8-13-7-14(20)4-5-16(13)23-18(15)25)22-19-24-17(10-26-19)12-3-2-6-21-9-12/h2-11H,1H3,(H,22,24)(H,23,25)/t11-/m0/s1
InChIKeyLEAODAPULWRPQL-NSHDSACASA-N
MW382.88 g/mol
LogP4.87
Rot. Bonds4

About 6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one

6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one (PubChem CID 122637453) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one
PubChem CID122637453
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one
SMILESC[C@H](Nc1nc(-c2cccnc2)cs1)c1cc2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C19H15ClN4OS/c1-11(15-8-13-7-14(20)4-5-16(13)23-18(15)25)22-19-24-17(10-26-19)12-3-2-6-21-9-12/h2-11H,1H3,(H,22,24)(H,23,25)/t11-/m0/s1
InChIKeyLEAODAPULWRPQL-NSHDSACASA-N
XLogP4.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-7-(pyridin-2-ylmethoxy)-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one
CID 122637462
6-chloro-3-[1-[[4-(3-methylimidazol-4-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 146222010
6-chloro-3-[(1R)-1-[[5-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 122637390
3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 118956163
6-chloro-3-[1-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]ethyl]-1H-quinolin-2-one
CID 146221783
6-chloro-3-[(1S)-1-[(3-fluoro-4-iodo-2-pyridinyl)amino]ethyl]-1H-quinolin-2-one;sulfane
CID 159425412
2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 118953959
N-[2-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1,3-oxazol-4-yl]acetamide
CID 122637550
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791509
3-[1-[[4-(2-acetylphenyl)pyrimidin-2-yl]amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 146221782
6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
CID 134364006

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one (CID 122637453) is 6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one is C[C@H](Nc1nc(-c2cccnc2)cs1)c1cc2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one?
The InChIKey is LEAODAPULWRPQL-NSHDSACASA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-11(15-8-13-7-14(20)4-5-16(13)23-18(15)25)22-19-24-17(10-26-19)12-3-2-6-21-9-12/h2-11H,1H3,(H,22,24)(H,23,25)/t11-/m0/s1.
What are the key properties of 6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one?
6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one has a molecular weight of 382.88 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(1S)-1-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 122637453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).