2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

C19H12FN3O — CID 613865

IUPAC2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3cccnc23)C1c1ccccc1F
InChIInChI=1S/C19H12FN3O/c20-15-6-2-1-5-12(15)16-13-8-7-11-4-3-9-23-17(11)18(13)24-19(22)14(16)10-21/h1-9,16H,22H2
InChIKeyTXZOCVNVLJMPEF-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.59
Rot. Bonds1

About 2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile

2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (PubChem CID 613865) has the molecular formula C19H12FN3O and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
PubChem CID613865
Molecular FormulaC19H12FN3O
Molecular Weight317.32 g/mol
Exact Mass317.10
IUPAC Name2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3cccnc23)C1c1ccccc1F
InChIInChI=1S/C19H12FN3O/c20-15-6-2-1-5-12(15)16-13-8-7-11-4-3-9-23-17(11)18(13)24-19(22)14(16)10-21/h1-9,16H,22H2
InChIKeyTXZOCVNVLJMPEF-UHFFFAOYSA-N
XLogP3.59
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-phenyl-4H-pyrano[3,2-H]quinoline-3-carbonitrile
CID 364824
8-Quinolyl N-(2-methoxyphenyl)carbamate
CID 3329723
2-amino-4-(pyridin-4-yl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 3845259
Quinolin-8-yl phenylcarbamate
CID 239197
7-(((2-Methoxyphenyl)amino)(phenyl)methyl)quinolin-8-ol
CID 256751
2H-Pyrido[3,3-benzoxazine, 3-cyclohexyl-3,4-dihydro-
CID 291306
2H-Pyrido[3,3-benzoxazine, 3,4-dihydro-3-(2-phenylethyl)-
CID 291307
3-[(4-Methoxyphenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 326315
2-amino-4-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile
CID 3165203
CID 3168140
CID 3168140
8-[(2-Fluorobenzyl)oxy]quinoline
CID 6460708
3-Amino-1-(3-bromo-4,5-dimethoxy-phenyl)-1H-4-oxa-5-aza-phenanthrene-2-carbonitrile
CID 10181600

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile (CID 613865) is 2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is N#CC1=C(N)Oc2c(ccc3cccnc23)C1c1ccccc1F.
What is the InChIKey of 2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The InChIKey is TXZOCVNVLJMPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O/c20-15-6-2-1-5-12(15)16-13-8-7-11-4-3-9-23-17(11)18(13)24-19(22)14(16)10-21/h1-9,16H,22H2.
What are the key properties of 2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile has a molecular weight of 317.32 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-fluorophenyl)-4H-pyrano[3,2-h]quinoline-3-carbonitrile is sourced from PubChem (CID 613865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).