2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile

C19H13N3O — CID 134110647

IUPAC2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3ncccc23)C1c1ccccc1
InChIInChI=1S/C19H13N3O/c20-11-15-17(12-5-2-1-3-6-12)14-8-9-16-13(7-4-10-22-16)18(14)23-19(15)21/h1-10,17H,21H2
InChIKeyQFMWKNNTKQLXSQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.45
Rot. Bonds1

About 2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile

2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile (PubChem CID 134110647) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile
PubChem CID134110647
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3ncccc23)C1c1ccccc1
InChIInChI=1S/C19H13N3O/c20-11-15-17(12-5-2-1-3-6-12)14-8-9-16-13(7-4-10-22-16)18(14)23-19(15)21/h1-10,17H,21H2
InChIKeyQFMWKNNTKQLXSQ-UHFFFAOYSA-N
XLogP3.45
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-9-methyl-4-phenyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 170836279
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282
2-amino-6-chloro-4-pyridin-4-yl-4H-benzo[h]chromene-3-carbonitrile
CID 53396579
2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile
CID 3830531
(4S)-2-amino-4-[4-(trifluoromethyl)phenyl]-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 40527938
2-amino-6-chloro-4-(4-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 134876103
(4S)-2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 793791
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
2-chloro-4-phenyl-4H-benzo[h]chromene-3-carbonitrile
CID 155569436
2-amino-6-chloro-4-(3-cyanophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 155511994
2-amino-7-hydroxy-8-methyl-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 3137559
2-amino-4-[3-(trifluoromethoxy)phenyl]-4H-benzo[h]chromene-3-carbonitrile
CID 19101000

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile (CID 134110647) is 2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile is N#CC1=C(N)Oc2c(ccc3ncccc23)C1c1ccccc1.
What is the InChIKey of 2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile?
The InChIKey is QFMWKNNTKQLXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c20-11-15-17(12-5-2-1-3-6-12)14-8-9-16-13(7-4-10-22-16)18(14)23-19(15)21/h1-10,17H,21H2.
What are the key properties of 2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile?
2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile has a molecular weight of 299.33 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-4H-pyrano[2,3-f]quinoline-3-carbonitrile is sourced from PubChem (CID 134110647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).