(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile

C16H11Cl2N3O — CID 40527906

IUPAC(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile
SMILESN#CC1=C(N)Nc2cc(O)ccc2[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2N3O/c17-12-4-1-8(5-13(12)18)15-10-3-2-9(22)6-14(10)21-16(20)11(15)7-19/h1-6,15,21-22H,20H2/t15-/m1/s1
InChIKeyGSTPCDJPPJRTFJ-OAHLLOKOSA-N
MW332.19 g/mol
LogP3.95
Rot. Bonds1

About (4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile

(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile (PubChem CID 40527906) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is (4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile
PubChem CID40527906
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile
SMILESN#CC1=C(N)Nc2cc(O)ccc2[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H11Cl2N3O/c17-12-4-1-8(5-13(12)18)15-10-3-2-9(22)6-14(10)21-16(20)11(15)7-19/h1-6,15,21-22H,20H2/t15-/m1/s1
InChIKeyGSTPCDJPPJRTFJ-OAHLLOKOSA-N
XLogP3.95
TPSA82.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 766183
4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 2818311
2,7-diamino-4-(3,4-dichlorophenyl)-4H-chromene-3-carbonitrile
CID 2838875
2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3153844
(4R)-2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 752577
(4R)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-7-hydroxy-4H-chromene-3-carbonitrile
CID 126133664
(4S)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-7-hydroxy-4H-chromene-3-carbonitrile
CID 126133669
(4R)-2-amino-4-(3-chloro-4-prop-2-ynoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 126141772
(4R)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-7-hydroxy-4H-chromene-3-carbonitrile
CID 126130624
(4S)-2-amino-4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carbonitrile
CID 126154100
2-acetyl-5-amino-3-(3,4-dichlorophenyl)-2,3-dihydrothiophene-4-carbonitrile
CID 3528189
(4R)-2-amino-4-(3,5-dichloro-4-ethoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 126137936

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile (CID 40527906) is (4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile is N#CC1=C(N)Nc2cc(O)ccc2[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile?
The InChIKey is GSTPCDJPPJRTFJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-12-4-1-8(5-13(12)18)15-10-3-2-9(22)6-14(10)21-16(20)11(15)7-19/h1-6,15,21-22H,20H2/t15-/m1/s1.
What are the key properties of (4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile?
(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile has a molecular weight of 332.19 g/mol, XLogP of 3.95, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-1,4-dihydroquinoline-3-carbonitrile is sourced from PubChem (CID 40527906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).