(4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile

C17H13ClN2O3 — CID 791384

IUPAC(4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(O)c(Cl)cc21
InChIInChI=1S/C17H13ClN2O3/c1-22-14-5-3-2-4-9(14)16-10-6-12(18)13(21)7-15(10)23-17(20)11(16)8-19/h2-7,16,21H,20H2,1H3/t16-/m1/s1
InChIKeyBXFMLIHVGPSYHS-MRXNPFEDSA-N
MW328.76 g/mol
LogP3.27
Rot. Bonds2

About (4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile

(4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile (PubChem CID 791384) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is (4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile
PubChem CID791384
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name(4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(O)c(Cl)cc21
InChIInChI=1S/C17H13ClN2O3/c1-22-14-5-3-2-4-9(14)16-10-6-12(18)13(21)7-15(10)23-17(20)11(16)8-19/h2-7,16,21H,20H2,1H3/t16-/m1/s1
InChIKeyBXFMLIHVGPSYHS-MRXNPFEDSA-N
XLogP3.27
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-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

(4S)-2-amino-6-chloro-4-(2-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 791387
[2-amino-3-cyano-4-(2-methoxyphenyl)-4H-chromen-7-yl] benzoate
CID 19120865
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-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carbonitrile
CID 1003712
(4R)-2-amino-4-(5-bromo-2-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 8613647
[2-amino-3-cyano-4-(2-methoxyphenyl)-4H-chromen-7-yl] 2-(3-chlorophenoxy)acetate
CID 19120942
[2-amino-3-cyano-4-(2-methoxyphenyl)-4H-chromen-7-yl] 2-phenylacetate
CID 19120941
(1S)-3-amino-1-(2-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 968492
2-amino-4-(2-methoxyphenyl)-7-methyl-5-oxo-4,6-dihydropyrano[3,2-c]pyridine-3-carbonitrile
CID 4645991
[2-amino-3-cyano-4-(2-methoxyphenyl)-4H-chromen-7-yl] 2-ethoxybenzoate
CID 19120933
[2-amino-3-cyano-4-(2-methoxyphenyl)-4H-chromen-7-yl] 2-(2-methylphenoxy)acetate
CID 19120886

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile (CID 791384) is (4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile is COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(O)c(Cl)cc21.
What is the InChIKey of (4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is BXFMLIHVGPSYHS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-14-5-3-2-4-9(14)16-10-6-12(18)13(21)7-15(10)23-17(20)11(16)8-19/h2-7,16,21H,20H2,1H3/t16-/m1/s1.
What are the key properties of (4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile?
(4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 328.76 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-6-chloro-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 791384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).