2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide

C24H27N3O2 — CID 15990937

IUPAC2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NC2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C24H27N3O2/c1-16-11-13-17(14-12-16)25-24(28)19-15-23(26-20-8-4-3-7-18(19)20)27-21-9-5-6-10-22(21)29-2/h3-10,15-17H,11-14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBNTSEWVCQCMIOX-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.30
Rot. Bonds5

About 2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide

2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide (PubChem CID 15990937) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide
PubChem CID15990937
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NC2CCC(C)CC2)c2ccccc2n1
InChIInChI=1S/C24H27N3O2/c1-16-11-13-17(14-12-16)25-24(28)19-15-23(26-20-8-4-3-7-18(19)20)27-21-9-5-6-10-22(21)29-2/h3-10,15-17H,11-14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyBNTSEWVCQCMIOX-UHFFFAOYSA-N
XLogP5.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide (CID 15990937) is 2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide is COc1ccccc1Nc1cc(C(=O)NC2CCC(C)CC2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide?
The InChIKey is BNTSEWVCQCMIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-11-13-17(14-12-16)25-24(28)19-15-23(26-20-8-4-3-7-18(19)20)27-21-9-5-6-10-22(21)29-2/h3-10,15-17H,11-14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide?
2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(4-methylcyclohexyl)quinoline-4-carboxamide is sourced from PubChem (CID 15990937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).