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

C19H15ClN2O6 — CID 68668429

IUPAC[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
SMILESCOC(=O)c1cc2c(Oc3ccc(NC(=O)O)c(Cl)c3)ccnc2cc1OC
InChIInChI=1S/C19H15ClN2O6/c1-26-17-9-15-11(8-12(17)18(23)27-2)16(5-6-21-15)28-10-3-4-14(13(20)7-10)22-19(24)25/h3-9,22H,1-2H3,(H,24,25)
InChIKeyKWMNSPKIYXNBNI-UHFFFAOYSA-N
MW402.79 g/mol
LogP4.57
Rot. Bonds5

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

[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid (PubChem CID 68668429) has the molecular formula C19H15ClN2O6 and a molecular weight of 402.79 g/mol. Its IUPAC name is [2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid.

Molecular Properties

Compound Name[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
PubChem CID68668429
Molecular FormulaC19H15ClN2O6
Molecular Weight402.79 g/mol
Exact Mass402.06
IUPAC Name[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
SMILESCOC(=O)c1cc2c(Oc3ccc(NC(=O)O)c(Cl)c3)ccnc2cc1OC
InChIInChI=1S/C19H15ClN2O6/c1-26-17-9-15-11(8-12(17)18(23)27-2)16(5-6-21-15)28-10-3-4-14(13(20)7-10)22-19(24)25/h3-9,22H,1-2H3,(H,24,25)
InChIKeyKWMNSPKIYXNBNI-UHFFFAOYSA-N
XLogP4.57
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.79
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-chloro-4-[7-methoxy-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]carbamic acid
CID 155172684
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
methyl 4-[3-chloro-4-[(3,3-difluoroazetidine-1-carbothioyl)amino]phenoxy]-7-methoxyquinoline-6-carboxylate
CID 134333805
4-[4-(carbamothioylamino)-3-chlorophenoxy]-N-hydroxy-7-methoxyquinoline-6-carboxamide
CID 145166681
phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamate
CID 22936529
methyl 4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylate
CID 22936380
4-[3-chloro-4-[(2-chloro-4-hydroxyphenyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 155291119
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357
4-[3-chloro-4-[(1,1,1-trifluoro-2-methylpropan-2-yl)carbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333804
4-[3-chloro-4-[(4-chlorophenyl)methylcarbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333848
4-[3-chloro-4-[(1,2,2,3,3-pentadeuteriocyclopropyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 162640491
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N,7-dimethoxyquinoline-6-carboxamide
CID 10049743

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid?
The IUPAC name of [2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid (CID 68668429) is [2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid.
What is the SMILES notation for [2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid?
The canonical SMILES for [2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid is COC(=O)c1cc2c(Oc3ccc(NC(=O)O)c(Cl)c3)ccnc2cc1OC.
What is the InChIKey of [2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid?
The InChIKey is KWMNSPKIYXNBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O6/c1-26-17-9-15-11(8-12(17)18(23)27-2)16(5-6-21-15)28-10-3-4-14(13(20)7-10)22-19(24)25/h3-9,22H,1-2H3,(H,24,25).
What are the key properties of [2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid?
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid has a molecular weight of 402.79 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid is sourced from PubChem (CID 68668429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).