(4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile

C19H19N3O2 — CID 40841877

IUPAC(4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1
InChIInChI=1S/C19H19N3O2/c1-2-9-23-14-6-3-12(4-7-14)18-15-8-5-13(21)10-17(15)24-19(22)16(18)11-20/h3-8,10,18H,2,9,21-22H2,1H3/t18-/m1/s1
InChIKeyLPKINYKRPQAVBE-GOSISDBHSA-N
MW321.38 g/mol
LogP3.28
Rot. Bonds4

About (4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile

(4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile (PubChem CID 40841877) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile
PubChem CID40841877
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile
SMILESCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1
InChIInChI=1S/C19H19N3O2/c1-2-9-23-14-6-3-12(4-7-14)18-15-8-5-13(21)10-17(15)24-19(22)16(18)11-20/h3-8,10,18H,2,9,21-22H2,1H3/t18-/m1/s1
InChIKeyLPKINYKRPQAVBE-GOSISDBHSA-N
XLogP3.28
TPSA94.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (4R)-2,7-diamino-4-(4-propoxyphenyl)-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

2-amino-4-(4-butoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3112858
[2-amino-3-cyano-4-(4-propoxyphenyl)-4H-chromen-7-yl] 4-propoxybenzoate
CID 19121226
[2-amino-3-cyano-4-(4-propoxyphenyl)-4H-chromen-7-yl] 2-phenoxyacetate
CID 19121200
[2-amino-4-(4-chlorophenyl)-3-cyano-4H-chromen-7-yl] 4-propoxybenzoate
CID 19121624
[2-amino-3-cyano-4-(4-propoxyphenyl)-4H-chromen-7-yl] 2-methylbenzoate
CID 19121188
[2-amino-3-cyano-4-(4-propoxyphenyl)-4H-chromen-7-yl] 4-propan-2-yloxybenzoate
CID 19121229
(4R)-2,7-diamino-4-(4-tert-butylphenyl)-4H-chromene-3-carbonitrile
CID 40841853
[2-amino-4-(4-butoxyphenyl)-3-cyano-4H-chromen-7-yl] 3-butoxybenzoate
CID 19121325
[2-amino-3-cyano-4-(4-methoxyphenyl)-4H-chromen-7-yl] 3-propoxybenzoate
CID 19121084
[2-amino-3-cyano-4-(3-methoxy-4-propoxyphenyl)-4H-chromen-7-yl] 4-propoxybenzoate
CID 139582535
[2-amino-3-cyano-4-(4-phenylmethoxyphenyl)-4H-chromen-7-yl] 3-propoxybenzoate
CID 19121404
[2-amino-3-cyano-4-(4-propoxyphenyl)-4H-chromen-7-yl] 3,4,6-trimethyl-1-benzofuran-2-carboxylate
CID 19128094

Frequently Asked Questions

What is the IUPAC name of (4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile?
The IUPAC name of (4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile (CID 40841877) is (4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for (4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile is CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1.
What is the InChIKey of (4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile?
The InChIKey is LPKINYKRPQAVBE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-9-23-14-6-3-12(4-7-14)18-15-8-5-13(21)10-17(15)24-19(22)16(18)11-20/h3-8,10,18H,2,9,21-22H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile?
(4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile has a molecular weight of 321.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,7-diamino-4-(4-propoxyphenyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 40841877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).