4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide

C24H27Cl2N5O2 — CID 44571191

IUPAC4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(CC)CC1
InChIInChI=1S/C24H27Cl2N5O2/c1-3-30-8-10-31(11-9-30)20-12-15-19(13-21(20)33-4-2)28-14-16(24(27)32)23(15)29-18-7-5-6-17(25)22(18)26/h5-7,12-14H,3-4,8-11H2,1-2H3,(H2,27,32)(H,28,29)
InChIKeyNTOWRHQJSNSGLV-UHFFFAOYSA-N
MW488.42 g/mol
LogP4.92
Rot. Bonds7

About 4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide

4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide (PubChem CID 44571191) has the molecular formula C24H27Cl2N5O2 and a molecular weight of 488.42 g/mol. Its IUPAC name is 4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide
PubChem CID44571191
Molecular FormulaC24H27Cl2N5O2
Molecular Weight488.42 g/mol
Exact Mass487.15
IUPAC Name4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide
SMILESCCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(CC)CC1
InChIInChI=1S/C24H27Cl2N5O2/c1-3-30-8-10-31(11-9-30)20-12-15-19(13-21(20)33-4-2)28-14-16(24(27)32)23(15)29-18-7-5-6-17(25)22(18)26/h5-7,12-14H,3-4,8-11H2,1-2H3,(H2,27,32)(H,28,29)
InChIKeyNTOWRHQJSNSGLV-UHFFFAOYSA-N
XLogP4.92
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dichloroanilino)-7-ethoxy-6-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571192
4-(3-chloro-2-fluoroanilino)-7-ethoxy-6-piperazin-1-ylquinoline-3-carboxamide
CID 174568681
4-(2,3-dichloroanilino)-6-(4-methylpiperazin-1-yl)-7-propan-2-yloxyquinoline-3-carboxamide
CID 44570646
4-(2,3-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571149
6,7-diethoxy-4-[2-ethyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]anilino]quinoline-3-carboxamide
CID 174524743
6-(4-cyclopropyl-1,4-diazepan-1-yl)-4-(2,4-difluoroanilino)-7-ethoxyquinoline-3-carboxamide
CID 44571336
4-[3-(aminomethyl)-2-methylanilino]-6,7-diethoxyquinoline-3-carboxamide
CID 11581983
6-bromo-4-(2,3-difluoroanilino)-7-ethoxyquinoline-3-carboxamide
CID 68905534
6,7-diethoxy-4-[2-ethyl-3-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]anilino]quinoline-3-carboxamide
CID 87746328
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571148
6,7-diethoxy-4-[2-ethyl-3-[[(1-ethylpiperidin-3-yl)amino]methyl]anilino]quinoline-3-carboxamide;6,7-diethoxy-4-[2-ethyl-3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]anilino]quinoline-3-carboxamide
CID 87881471

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide (CID 44571191) is 4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide is CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(CC)CC1.
What is the InChIKey of 4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide?
The InChIKey is NTOWRHQJSNSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O2/c1-3-30-8-10-31(11-9-30)20-12-15-19(13-21(20)33-4-2)28-14-16(24(27)32)23(15)29-18-7-5-6-17(25)22(18)26/h5-7,12-14H,3-4,8-11H2,1-2H3,(H2,27,32)(H,28,29).
What are the key properties of 4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide?
4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide has a molecular weight of 488.42 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide is sourced from PubChem (CID 44571191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).