4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide

C24H23ClN6O4 — CID 142410656

IUPAC4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)C)[nH]n4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C24H23ClN6O4/c1-12(2)18-11-22(31-30-18)29-24(33)28-17-5-4-13(8-16(17)25)35-20-6-7-27-19-10-21(34-3)15(23(26)32)9-14(19)20/h4-12H,1-3H3,(H2,26,32)(H3,28,29,30,31,33)
InChIKeyPVEZEQHSTVXBHJ-UHFFFAOYSA-N
MW494.94 g/mol
LogP5.28
Rot. Bonds7

About 4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide

4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 142410656) has the molecular formula C24H23ClN6O4 and a molecular weight of 494.94 g/mol. Its IUPAC name is 4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID142410656
Molecular FormulaC24H23ClN6O4
Molecular Weight494.94 g/mol
Exact Mass494.15
IUPAC Name4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)C)[nH]n4)c(Cl)c3)c2cc1C(N)=O
InChIInChI=1S/C24H23ClN6O4/c1-12(2)18-11-22(31-30-18)29-24(33)28-17-5-4-13(8-16(17)25)35-20-6-7-27-19-10-21(34-3)15(23(26)32)9-14(19)20/h4-12H,1-3H3,(H2,26,32)(H3,28,29,30,31,33)
InChIKeyPVEZEQHSTVXBHJ-UHFFFAOYSA-N
XLogP5.28
TPSA144.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.94
LogP ≤ 55.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-chloro-4-[(2-chloro-4-hydroxyphenyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 155291119
4-[3-chloro-4-[(1,2,2,3,3-pentadeuteriocyclopropyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 162640491
phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamate
CID 22936529
4-[4-(carbamothioylamino)-3-chlorophenoxy]-N-hydroxy-7-methoxyquinoline-6-carboxamide
CID 145166681
4-[3-chloro-4-[[(Z)-1-(cyclobutylamino)prop-1-enyl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 145166651
4-[3-chloro-4-[(1,1,1-trifluoro-2-methylpropan-2-yl)carbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333804
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
4-[3-chloro-4-[(4-chlorophenyl)methylcarbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333848
4-[4-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-3-chlorophenoxy]-7-methoxy-N-(2-methoxyethyl)quinoline-6-carboxamide
CID 142410632
4-[3-chloro-4-[(3-fluoroazetidine-1-carbothioyl)amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333789
[2-chloro-4-(7-methoxy-6-methoxycarbonylquinolin-4-yl)oxyphenyl]carbamic acid
CID 68668429
4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-N,7-dimethoxyquinoline-6-carboxamide
CID 10049743

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide (CID 142410656) is 4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)C)[nH]n4)c(Cl)c3)c2cc1C(N)=O.
What is the InChIKey of 4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is PVEZEQHSTVXBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O4/c1-12(2)18-11-22(31-30-18)29-24(33)28-17-5-4-13(8-16(17)25)35-20-6-7-27-19-10-21(34-3)15(23(26)32)9-14(19)20/h4-12H,1-3H3,(H2,26,32)(H3,28,29,30,31,33).
What are the key properties of 4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 494.94 g/mol, XLogP of 5.28, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 142410656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).