2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile

C19H15N3O2 — CID 10267864

IUPAC2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile
SMILESCOc1cccc(C2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1
InChIInChI=1S/C19H15N3O2/c1-23-13-4-2-3-12(9-13)16-14-6-5-11-7-8-22-17(11)18(14)24-19(21)15(16)10-20/h2-9,16,22H,21H2,1H3
InChIKeyXTKVHTFXTOBMNS-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.39
Rot. Bonds2

About 2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile

2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile (PubChem CID 10267864) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile
PubChem CID10267864
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile
SMILESCOc1cccc(C2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1
InChIInChI=1S/C19H15N3O2/c1-23-13-4-2-3-12(9-13)16-14-6-5-11-7-8-22-17(11)18(14)24-19(21)15(16)10-20/h2-9,16,22H,21H2,1H3
InChIKeyXTKVHTFXTOBMNS-UHFFFAOYSA-N
XLogP3.39
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-phenyl-4H-pyrano[3,2-H]quinoline-3-carbonitrile
CID 364824
2-(7-methoxy-1H-indol-3-yl)ethan-1-amine
CID 17087
2-(5-methoxy-1H-indol-3-yl)acetonitrile
CID 3564783
2-[5-(benzyloxy)-1H-indol-3-yl]acetonitrile
CID 252139
1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
CID 77105818
7-Benzyloxytryptamine
CID 260806
[3-(1H-Indol-3-yl)-propyl]-[2-(quinolin-8-yloxy)-ethyl]-amine
CID 9906183
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11464427
N-Benzyl-5-methoxytryptamine
CID 134909
7-Methoxy-1H-indole
CID 76660
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine
CID 3124849
7-Benzyloxygramine
CID 260807

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile (CID 10267864) is 2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile is COc1cccc(C2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1.
What is the InChIKey of 2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile?
The InChIKey is XTKVHTFXTOBMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-23-13-4-2-3-12(9-13)16-14-6-5-11-7-8-22-17(11)18(14)24-19(21)15(16)10-20/h2-9,16,22H,21H2,1H3.
What are the key properties of 2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile?
2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile has a molecular weight of 317.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methoxyphenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile is sourced from PubChem (CID 10267864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).