4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride

C23H16Cl2FN3O — CID 22646535

IUPAC4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C23H15ClFN3O.ClH/c24-17-6-7-21(19(25)11-17)28-20-8-9-27-22-12-23(16(13-26)10-18(20)22)29-14-15-4-2-1-3-5-15;/h1-12H,14H2,(H,27,28);1H
InChIKeyYGAQQCKMBFZMGS-UHFFFAOYSA-N
MW440.31 g/mol
LogP6.64
Rot. Bonds5

About 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride

4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride (PubChem CID 22646535) has the molecular formula C23H16Cl2FN3O and a molecular weight of 440.31 g/mol. Its IUPAC name is 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride
PubChem CID22646535
Molecular FormulaC23H16Cl2FN3O
Molecular Weight440.31 g/mol
Exact Mass439.07
IUPAC Name4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1OCc1ccccc1
InChIInChI=1S/C23H15ClFN3O.ClH/c24-17-6-7-21(19(25)11-17)28-20-8-9-27-22-12-23(16(13-26)10-18(20)22)29-14-15-4-2-1-3-5-15;/h1-12H,14H2,(H,27,28);1H
InChIKeyYGAQQCKMBFZMGS-UHFFFAOYSA-N
XLogP6.64
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.31
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 22646600
4-(4-chloro-2-fluoroanilino)-7-hydroxyquinoline-6-carbonitrile
CID 135673964
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22478265
4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile
CID 175686449
N-[5-[tert-butyl(diphenyl)silyl]oxy-4-chloro-2-fluorophenyl]-6-methoxy-7-phenylmethoxyquinolin-4-amine
CID 54345924
4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile
CID 22646515
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 22624902
2-[[3-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]phenyl]methoxy]benzonitrile
CID 90071525
5-chloro-2-(quinolin-5-ylamino)benzonitrile
CID 62493218
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
CID 63082961
2-methoxyethyl 4-(4-chloro-2-fluoroanilino)-7-methoxyquinoline-6-sulfinate
CID 142641276

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride?
The IUPAC name of 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride (CID 22646535) is 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride.
What is the SMILES notation for 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride?
The canonical SMILES for 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride is Cl.N#Cc1cc2c(Nc3ccc(Cl)cc3F)ccnc2cc1OCc1ccccc1.
What is the InChIKey of 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride?
The InChIKey is YGAQQCKMBFZMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN3O.ClH/c24-17-6-7-21(19(25)11-17)28-20-8-9-27-22-12-23(16(13-26)10-18(20)22)29-14-15-4-2-1-3-5-15;/h1-12H,14H2,(H,27,28);1H.
What are the key properties of 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride?
4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride has a molecular weight of 440.31 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride is sourced from PubChem (CID 22646535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).