[4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol

C23H19ClN2O3 — CID 89377978

IUPAC[4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol
SMILESNc1ccc(Oc2ccnc3cc(OCc4ccccc4)c(CO)cc23)cc1Cl
InChIInChI=1S/C23H19ClN2O3/c24-19-11-17(6-7-20(19)25)29-22-8-9-26-21-12-23(16(13-27)10-18(21)22)28-14-15-4-2-1-3-5-15/h1-12,27H,13-14,25H2
InChIKeyJJCMCDPJOINZTF-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.33
Rot. Bonds6

About [4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol

[4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol (PubChem CID 89377978) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is [4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol.

Molecular Properties

Compound Name[4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol
PubChem CID89377978
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name[4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol
SMILESNc1ccc(Oc2ccnc3cc(OCc4ccccc4)c(CO)cc23)cc1Cl
InChIInChI=1S/C23H19ClN2O3/c24-19-11-17(6-7-20(19)25)29-22-8-9-26-21-12-23(16(13-27)10-18(21)22)28-14-15-4-2-1-3-5-15/h1-12,27H,13-14,25H2
InChIKeyJJCMCDPJOINZTF-UHFFFAOYSA-N
XLogP5.33
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
4-(7-butoxy-6-methoxyquinolin-4-yl)oxy-2-chloroaniline
CID 89257165
4-[3-chloro-4-(3-cyclopropyl-2-oxopropyl)phenoxy]-N-methyl-7-phenylmethoxyquinoline-6-carboxamide
CID 58272228
phenyl N-[2-chloro-4-(6-isocyano-7-phenylmethoxyquinolin-4-yl)oxyphenyl]carbamate
CID 58931171
4-(4-amino-3-chlorophenoxy)-7-methoxyquinoline-6-carbaldehyde;methoxymethane
CID 145166636
4-(4-amino-3-chlorophenoxy)-N-ethyl-7-methoxyquinoline-6-carboxamide
CID 89363479
4-(4-amino-3-chlorophenoxy)-N-(2-fluoroethyl)-7-(2-methoxyethoxy)quinoline-6-carboxamide
CID 89363640
6-butyl-4-chloro-7-phenylmethoxyquinoline
CID 22641406
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
4-phenylmethoxyquinoline
CID 11299312
4-(3,4-dichlorophenoxy)quinolin-8-amine
CID 83060695
(2,4-dichloro-5-phenylmethoxyphenyl)methanol
CID 57425039

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol?
The IUPAC name of [4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol (CID 89377978) is [4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol.
What is the SMILES notation for [4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol?
The canonical SMILES for [4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol is Nc1ccc(Oc2ccnc3cc(OCc4ccccc4)c(CO)cc23)cc1Cl.
What is the InChIKey of [4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol?
The InChIKey is JJCMCDPJOINZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-19-11-17(6-7-20(19)25)29-22-8-9-26-21-12-23(16(13-27)10-18(21)22)28-14-15-4-2-1-3-5-15/h1-12,27H,13-14,25H2.
What are the key properties of [4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol?
[4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol has a molecular weight of 406.87 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-3-chlorophenoxy)-7-phenylmethoxyquinolin-6-yl]methanol is sourced from PubChem (CID 89377978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).