2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile

C20H15N3O — CID 170836279

IUPAC2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCc1ccc2ccc3c(c2n1)OC(N)=C(C#N)C3c1ccccc1
InChIInChI=1S/C20H15N3O/c1-12-7-8-14-9-10-15-17(13-5-3-2-4-6-13)16(11-21)20(22)24-19(15)18(14)23-12/h2-10,17H,22H2,1H3
InChIKeyUCKRTNLJGZCCDX-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.76
Rot. Bonds1

About 2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile

2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile (PubChem CID 170836279) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
PubChem CID170836279
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCc1ccc2ccc3c(c2n1)OC(N)=C(C#N)C3c1ccccc1
InChIInChI=1S/C20H15N3O/c1-12-7-8-14-9-10-15-17(13-5-3-2-4-6-13)16(11-21)20(22)24-19(15)18(14)23-12/h2-10,17H,22H2,1H3
InChIKeyUCKRTNLJGZCCDX-UHFFFAOYSA-N
XLogP3.76
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 4535355
2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile
CID 134110647
(4S)-2-amino-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 40527938
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282
(4S)-2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 793791
2,8-diamino-6-(3-methoxyphenyl)-3,6-dihydropyrano[2,3-e]benzimidazole-7-carbonitrile
CID 10268521
2-amino-6-methyl-4-phenyl-5-pyridin-4-yl-4H-pyran-3-carbonitrile
CID 15546482
2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 3137559
2-amino-4-(5-methyl-2-phenyl-1H-indol-3-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 135391943
(11R)-13-amino-11-(4-methoxyphenyl)-3,5-dimethyl-7-oxo-4-phenyl-14-oxa-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,8,12-pentaene-12-carbonitrile
CID 92845251
2-chloro-4-phenyl-4H-benzo[h]chromene-3-carbonitrile
CID 155569436

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile (CID 170836279) is 2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile is Cc1ccc2ccc3c(c2n1)OC(N)=C(C#N)C3c1ccccc1.
What is the InChIKey of 2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The InChIKey is UCKRTNLJGZCCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-12-7-8-14-9-10-15-17(13-5-3-2-4-6-13)16(11-21)20(22)24-19(15)18(14)23-12/h2-10,17H,22H2,1H3.
What are the key properties of 2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile has a molecular weight of 313.36 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile is sourced from PubChem (CID 170836279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).