4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide

C25H25ClN6O3 — CID 138569472

IUPAC4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESC=C(Nc1cnn(C(C)C)c1)Nc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl
InChIInChI=1S/C25H25ClN6O3/c1-14(2)32-13-16(12-29-32)30-15(3)31-21-6-5-17(9-20(21)26)35-23-7-8-28-22-11-24(34-4)19(25(27)33)10-18(22)23/h5-14,30-31H,3H2,1-2,4H3,(H2,27,33)
InChIKeyNSQNFFGQPKJCRV-UHFFFAOYSA-N
MW492.97 g/mol
LogP5.56
Rot. Bonds9

About 4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide

4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 138569472) has the molecular formula C25H25ClN6O3 and a molecular weight of 492.97 g/mol. Its IUPAC name is 4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID138569472
Molecular FormulaC25H25ClN6O3
Molecular Weight492.97 g/mol
Exact Mass492.17
IUPAC Name4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
SMILESC=C(Nc1cnn(C(C)C)c1)Nc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl
InChIInChI=1S/C25H25ClN6O3/c1-14(2)32-13-16(12-29-32)30-15(3)31-21-6-5-17(9-20(21)26)35-23-7-8-28-22-11-24(34-4)19(25(27)33)10-18(22)23/h5-14,30-31H,3H2,1-2,4H3,(H2,27,33)
InChIKeyNSQNFFGQPKJCRV-UHFFFAOYSA-N
XLogP5.56
TPSA116.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.97
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide with MolForge

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Related Compounds

Lenvatinib
CID 9823820
Lenvatinib Mesylate
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1-N'-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 134334010
(4-((6-(Aminocarbonyl)-7-methoxy-4-quinolinyl)oxy)-2-chlorophenyl)carbamic acid phenyl ester
CID 22936529
4-[3-Chloro-4-(cyclopropylcarbamothioylamino)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333772
4-(3-Chloro-4-(((cyclopropylamino)carbonyl)amino)phenoxy)-7-hydroxy-6-quinolinecarboxamide
CID 135566046
CID 118753290
CID 118753290
4-[4-[[4-(1-Adamantylcarbamoyl)-1-methylpyrazol-3-yl]amino]-3-chlorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 171342126
4-[4-[[4-(Benzylcarbamoyl)-1-methylpyrazol-3-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 171345748
4-[4-[[4-(Cyclohexylmethylcarbamoyl)-1-methylpyrazol-3-yl]amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 171347074
7-Methoxy-4-[4-[[1-methyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide
CID 171348948
7-Methoxy-4-[4-[[1-methyl-4-(phenylmethoxycarbamoyl)pyrazol-3-yl]amino]phenoxy]quinoline-6-carboxamide
CID 171349207

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide (CID 138569472) is 4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide is C=C(Nc1cnn(C(C)C)c1)Nc1ccc(Oc2ccnc3cc(OC)c(C(N)=O)cc23)cc1Cl.
What is the InChIKey of 4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is NSQNFFGQPKJCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3/c1-14(2)32-13-16(12-29-32)30-15(3)31-21-6-5-17(9-20(21)26)35-23-7-8-28-22-11-24(34-4)19(25(27)33)10-18(22)23/h5-14,30-31H,3H2,1-2,4H3,(H2,27,33).
What are the key properties of 4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide?
4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 492.97 g/mol, XLogP of 5.56, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[1-[(1-propan-2-ylpyrazol-4-yl)amino]ethenylamino]phenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 138569472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).