N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline

C24H19ClF2N2O2 — CID 155512281

IUPACN-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline
SMILESCCOc1cc(CNc2ccc(F)cc2F)ccc1Oc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H19ClF2N2O2/c1-2-30-24-11-15(14-29-20-7-5-17(26)13-19(20)27)3-8-23(24)31-22-9-10-28-21-12-16(25)4-6-18(21)22/h3-13,29H,2,14H2,1H3
InChIKeyNXCQICNPYQZVPE-UHFFFAOYSA-N
MW440.88 g/mol
LogP6.97
Rot. Bonds7

About N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline

N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline (PubChem CID 155512281) has the molecular formula C24H19ClF2N2O2 and a molecular weight of 440.88 g/mol. Its IUPAC name is N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline
PubChem CID155512281
Molecular FormulaC24H19ClF2N2O2
Molecular Weight440.88 g/mol
Exact Mass440.11
IUPAC NameN-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline
SMILESCCOc1cc(CNc2ccc(F)cc2F)ccc1Oc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H19ClF2N2O2/c1-2-30-24-11-15(14-29-20-7-5-17(26)13-19(20)27)3-8-23(24)31-22-9-10-28-21-12-16(25)4-6-18(21)22/h3-13,29H,2,14H2,1H3
InChIKeyNXCQICNPYQZVPE-UHFFFAOYSA-N
XLogP6.97
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.88
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-((6-chloropyridin-3-yl)methoxy)-3-methoxybenzyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 4719406
2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide
CID 139030518
7-chloro-N-(4-ethoxyphenyl)-4-quinolinamine
CID 711950
SBE13 hydrochloride
CID 11948807
4-[(3-Chloro-4-fluorophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile
CID 5328839
4-[(3-Chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328841
4-(3-Chloro-4-fluorophenylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328851
4-[(4-Chloro-2-fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328852
4-[(3-Chloro-4-methylphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328861
N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 5328888
2-Chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy)quinolin-4-yl]amino}phenol
CID 5329016
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine
CID 5329017

Frequently Asked Questions

What is the IUPAC name of N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline?
The IUPAC name of N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline (CID 155512281) is N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline.
What is the SMILES notation for N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline?
The canonical SMILES for N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline is CCOc1cc(CNc2ccc(F)cc2F)ccc1Oc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline?
The InChIKey is NXCQICNPYQZVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF2N2O2/c1-2-30-24-11-15(14-29-20-7-5-17(26)13-19(20)27)3-8-23(24)31-22-9-10-28-21-12-16(25)4-6-18(21)22/h3-13,29H,2,14H2,1H3.
What are the key properties of N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline?
N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline has a molecular weight of 440.88 g/mol, XLogP of 6.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(7-chloroquinolin-4-yl)oxy-3-ethoxyphenyl]methyl]-2,4-difluoroaniline is sourced from PubChem (CID 155512281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).