4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide

C22H23Cl2N5O2 — CID 44571148

IUPAC4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
SMILESCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)c(C(N)=O)cnc2cc1N1CCN(C)CC1
InChIInChI=1S/C22H23Cl2N5O2/c1-28-5-7-29(8-6-28)19-11-18-14(10-20(19)31-2)21(15(12-26-18)22(25)30)27-13-3-4-16(23)17(24)9-13/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
InChIKeyRHYLDPNFWOHTII-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.14
Rot. Bonds5

About 4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide

4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide (PubChem CID 44571148) has the molecular formula C22H23Cl2N5O2 and a molecular weight of 460.37 g/mol. Its IUPAC name is 4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
PubChem CID44571148
Molecular FormulaC22H23Cl2N5O2
Molecular Weight460.37 g/mol
Exact Mass459.12
IUPAC Name4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
SMILESCOc1cc2c(Nc3ccc(Cl)c(Cl)c3)c(C(N)=O)cnc2cc1N1CCN(C)CC1
InChIInChI=1S/C22H23Cl2N5O2/c1-28-5-7-29(8-6-28)19-11-18-14(10-20(19)31-2)21(15(12-26-18)22(25)30)27-13-3-4-16(23)17(24)9-13/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
InChIKeyRHYLDPNFWOHTII-UHFFFAOYSA-N
XLogP4.14
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571149
4-(3-chloro-4-fluoroanilino)-6-methoxy-7-(2-pyrrolidin-1-ylethoxy)quinoline-3-carboxamide
CID 44571099
4-(2,3-dichloroanilino)-6-(4-methylpiperazin-1-yl)-7-propan-2-yloxyquinoline-3-carboxamide
CID 44570646
tert-butyl N-[3-[3-carbamoyl-4-(3,4-dichloroanilino)-7-methoxyquinolin-6-yl]propyl]carbamate
CID 86635417
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
4-(2,6-dimethylphenyl)-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 69070563
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
4-(2,3-dichloroanilino)-7-ethoxy-6-(4-ethylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571191
4-(2,3-dichloroanilino)-7-ethoxy-6-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571192
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
4-(2-ethylanilino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carboxamide
CID 22170196
1-[2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408176

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide (CID 44571148) is 4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide is COc1cc2c(Nc3ccc(Cl)c(Cl)c3)c(C(N)=O)cnc2cc1N1CCN(C)CC1.
What is the InChIKey of 4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
The InChIKey is RHYLDPNFWOHTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O2/c1-28-5-7-29(8-6-28)19-11-18-14(10-20(19)31-2)21(15(12-26-18)22(25)30)27-13-3-4-16(23)17(24)9-13/h3-4,9-12H,5-8H2,1-2H3,(H2,25,30)(H,26,27).
What are the key properties of 4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide?
4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide has a molecular weight of 460.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide is sourced from PubChem (CID 44571148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).