[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid

C19H16ClN3O5 — CID 155172684

IUPAC[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
SMILESCNC(=O)c1cc2c(Oc3ccc(NC(=O)O)c(Cl)c3)ccnc2cc1OC
InChIInChI=1S/C19H16ClN3O5/c1-21-18(24)12-8-11-15(9-17(12)27-2)22-6-5-16(11)28-10-3-4-14(13(20)7-10)23-19(25)26/h3-9,23H,1-2H3,(H,21,24)(H,25,26)
InChIKeyGLTNIKXZMSSNHT-UHFFFAOYSA-N
MW401.81 g/mol
LogP4.14
Rot. Bonds5

About [2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid

[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid (PubChem CID 155172684) has the molecular formula C19H16ClN3O5 and a molecular weight of 401.81 g/mol. Its IUPAC name is [2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid.

Molecular Properties

Compound Name[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
PubChem CID155172684
Molecular FormulaC19H16ClN3O5
Molecular Weight401.81 g/mol
Exact Mass401.08
IUPAC Name[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
SMILESCNC(=O)c1cc2c(Oc3ccc(NC(=O)O)c(Cl)c3)ccnc2cc1OC
InChIInChI=1S/C19H16ClN3O5/c1-21-18(24)12-8-11-15(9-17(12)27-2)22-6-5-16(11)28-10-3-4-14(13(20)7-10)23-19(25)26/h3-9,23H,1-2H3,(H,21,24)(H,25,26)
InChIKeyGLTNIKXZMSSNHT-UHFFFAOYSA-N
XLogP4.14
TPSA109.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.81
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429
4-[3-chloro-4-[(1-methylpyrazol-4-yl)carbamoylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 138706789
4-[4-(carbamothioylamino)-3-chlorophenoxy]-N-hydroxy-7-methoxyquinoline-6-carboxamide
CID 145166681
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
4-[3-chloro-4-(methylcarbamoylamino)phenoxy]-N-(2-ethoxyethyl)-7-methoxyquinoline-6-carboxamide
CID 11612547
7-methoxy-4-(3-methoxyphenoxy)-N-methylquinoline-6-carboxamide
CID 69131598
phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamate
CID 22936529
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N,7-dimethoxyquinoline-6-carboxamide
CID 10049743
4-[3-chloro-4-[(2-chloro-4-hydroxyphenyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 155291119
7-methoxy-N-methyl-4-(4-nitrosophenoxy)quinoline-6-carboxamide
CID 88925531
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
4-[3-chloro-4-[(4-chlorophenyl)methylcarbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333848

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid?
The IUPAC name of [2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid (CID 155172684) is [2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid.
What is the SMILES notation for [2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid?
The canonical SMILES for [2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid is CNC(=O)c1cc2c(Oc3ccc(NC(=O)O)c(Cl)c3)ccnc2cc1OC.
What is the InChIKey of [2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid?
The InChIKey is GLTNIKXZMSSNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O5/c1-21-18(24)12-8-11-15(9-17(12)27-2)22-6-5-16(11)28-10-3-4-14(13(20)7-10)23-19(25)26/h3-9,23H,1-2H3,(H,21,24)(H,25,26).
What are the key properties of [2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid?
[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid has a molecular weight of 401.81 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid is sourced from PubChem (CID 155172684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).