(4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile

C19H18N2O4 — CID 92974508

IUPAC(4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
SMILESCOc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3cc(OC)ccc32)c1
InChIInChI=1S/C19H18N2O4/c1-22-12-4-5-15-17(9-12)25-19(21)16(10-20)18(15)11-6-13(23-2)8-14(7-11)24-3/h4-9,18H,21H2,1-3H3/t18-/m1/s1
InChIKeyFDNDSIRQZMJIDA-GOSISDBHSA-N
MW338.36 g/mol
LogP2.93
Rot. Bonds4

About (4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile

(4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile (PubChem CID 92974508) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
PubChem CID92974508
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
SMILESCOc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3cc(OC)ccc32)c1
InChIInChI=1S/C19H18N2O4/c1-22-12-4-5-15-17(9-12)25-19(21)16(10-20)18(15)11-6-13(23-2)8-14(7-11)24-3/h4-9,18H,21H2,1-3H3/t18-/m1/s1
InChIKeyFDNDSIRQZMJIDA-GOSISDBHSA-N
XLogP2.93
TPSA86.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-2-amino-7-methoxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 8613742
(4R)-2-amino-4-(3-bromo-4-methoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 8613740
(4R)-2-amino-4-(3-bromo-4-fluorophenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 8613732
2-amino-4-(3-bromo-5-methoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 11406913
[2-amino-3-cyano-4-(3-methoxyphenyl)-4H-chromen-7-yl] 3-methoxybenzoate
CID 19120952
(4S)-2-amino-4-(2-bromophenyl)-7-methoxy-4H-chromene-3-carbonitrile
CID 8613713
6-amino-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
CID 2941798
[2-amino-3-cyano-4-(3-methoxyphenyl)-4H-chromen-7-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 19120977
[2-amino-3-cyano-4-(4-methoxyphenyl)-4H-chromen-7-yl] benzoate
CID 19121025
[2-amino-3-cyano-4-(3-methoxyphenyl)-4H-chromen-7-yl] 2-bromobenzoate
CID 19120955
[2-amino-3-cyano-4-(4-methoxycarbonylphenyl)-4H-chromen-7-yl] 3-methoxybenzoate
CID 19124546
[2-amino-3-cyano-4-(4-methoxyphenyl)-4H-chromen-7-yl] thiophene-2-carboxylate
CID 19121054

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile (CID 92974508) is (4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile is COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3cc(OC)ccc32)c1.
What is the InChIKey of (4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
The InChIKey is FDNDSIRQZMJIDA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-22-12-4-5-15-17(9-12)25-19(21)16(10-20)18(15)11-6-13(23-2)8-14(7-11)24-3/h4-9,18H,21H2,1-3H3/t18-/m1/s1.
What are the key properties of (4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile?
(4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile has a molecular weight of 338.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(3,5-dimethoxyphenyl)-7-methoxy-4H-chromene-3-carbonitrile is sourced from PubChem (CID 92974508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).