(2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide

C14H13ClN4O2 — CID 99783817

IUPAC(2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)[C@H](CO)Nc1cc(C#N)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H13ClN4O2/c1-17-14(21)12(7-20)19-13-4-8(6-16)10-5-9(15)2-3-11(10)18-13/h2-5,12,20H,7H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyYBCWNDZWSPZRGJ-LBPRGKRZSA-N
MW304.74 g/mol
LogP1.28
Rot. Bonds4

About (2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide

(2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide (PubChem CID 99783817) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is (2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide
PubChem CID99783817
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name(2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)[C@H](CO)Nc1cc(C#N)c2cc(Cl)ccc2n1
InChIInChI=1S/C14H13ClN4O2/c1-17-14(21)12(7-20)19-13-4-8(6-16)10-5-9(15)2-3-11(10)18-13/h2-5,12,20H,7H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyYBCWNDZWSPZRGJ-LBPRGKRZSA-N
XLogP1.28
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide with MolForge

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Related Compounds

6-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]quinoline-4-carbonitrile
CID 133434714
methyl 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]hexanoate
CID 133444283
6-chloro-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]quinoline-4-carbonitrile
CID 133429186
2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide
CID 63886397
6-chloro-2-[[1-(furan-2-yl)-3-hydroxypropyl]amino]quinoline-4-carbonitrile
CID 133490796
3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide
CID 133304285
6-chloro-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]quinoline-4-carbonitrile
CID 133337280
6-chloro-2-[1-(1,3,5-trimethylpyrazol-4-yl)propylamino]quinoline-4-carbonitrile
CID 133427882
2-[[(2S)-1-hydroxybutan-2-yl]amino]-6-nitroquinoline-4-carbonitrile
CID 133434507
6-chloro-2-[(2S)-2,3-dihydroxypropyl]sulfanylquinoline-4-carbonitrile
CID 97157982
2-[(1-hydroxy-3-methylbutan-2-yl)amino]quinoline-4-carbonitrile
CID 79249281
5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 133426408

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide?
The IUPAC name of (2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide (CID 99783817) is (2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for (2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide is CNC(=O)[C@H](CO)Nc1cc(C#N)c2cc(Cl)ccc2n1.
What is the InChIKey of (2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide?
The InChIKey is YBCWNDZWSPZRGJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-17-14(21)12(7-20)19-13-4-8(6-16)10-5-9(15)2-3-11(10)18-13/h2-5,12,20H,7H2,1H3,(H,17,21)(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide?
(2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide has a molecular weight of 304.74 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 99783817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).