2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile

C20H13ClFN3O — CID 4535355

IUPAC2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCc1ccc2ccc3c(c2n1)OC(N)=C(C#N)C3c1c(F)cccc1Cl
InChIInChI=1S/C20H13ClFN3O/c1-10-5-6-11-7-8-12-16(17-14(21)3-2-4-15(17)22)13(9-23)20(24)26-19(12)18(11)25-10/h2-8,16H,24H2,1H3
InChIKeySQPZPNDLNOAMJU-UHFFFAOYSA-N
MW365.80 g/mol
LogP4.55
Rot. Bonds1

About 2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile

2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile (PubChem CID 4535355) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
PubChem CID4535355
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC Name2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile
SMILESCc1ccc2ccc3c(c2n1)OC(N)=C(C#N)C3c1c(F)cccc1Cl
InChIInChI=1S/C20H13ClFN3O/c1-10-5-6-11-7-8-12-16(17-14(21)3-2-4-15(17)22)13(9-23)20(24)26-19(12)18(11)25-10/h2-8,16H,24H2,1H3
InChIKeySQPZPNDLNOAMJU-UHFFFAOYSA-N
XLogP4.55
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 54.55
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
(4S)-2-amino-4-(2-chloro-6-fluorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 8613693
(4R)-6-amino-4-(2-chloro-6-fluorophenyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1203478
2-amino-4-(2-chloro-6-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 3118451
(5R)-7-amino-5-(2-chloro-6-fluorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 95861285
(4R)-2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 2303203
ethyl 6-amino-4-(2-chloro-6-fluorophenyl)-5-cyano-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
CID 2865372
[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-4H-chromen-7-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 19124082
6-amino-4-(2-chloro-6-fluorophenyl)-3-pyridin-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 630398
[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-4H-chromen-7-yl] 3-methoxybenzoate
CID 19124066
2-amino-4-(2,6-difluorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 16762776
(4S)-6-amino-4-(2-chloro-6-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1212319

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile (CID 4535355) is 2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile is Cc1ccc2ccc3c(c2n1)OC(N)=C(C#N)C3c1c(F)cccc1Cl.
What is the InChIKey of 2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
The InChIKey is SQPZPNDLNOAMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c1-10-5-6-11-7-8-12-16(17-14(21)3-2-4-15(17)22)13(9-23)20(24)26-19(12)18(11)25-10/h2-8,16H,24H2,1H3.
What are the key properties of 2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile?
2-amino-4-(2-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile has a molecular weight of 365.80 g/mol, XLogP of 4.55, 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-chloro-6-fluorophenyl)-9-methyl-4H-pyrano[3,2-h]quinoline-3-carbonitrile is sourced from PubChem (CID 4535355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).