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

C22H23N3O2 — CID 15990935

IUPACN-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C22H23N3O2/c1-27-20-13-7-6-12-19(20)25-21-14-17(16-10-4-5-11-18(16)24-21)22(26)23-15-8-2-3-9-15/h4-7,10-15H,2-3,8-9H2,1H3,(H,23,26)(H,24,25)
InChIKeyUILWGNPVUDQZHU-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.66
Rot. Bonds5

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

N-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide (PubChem CID 15990935) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide
PubChem CID15990935
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NC2CCCC2)c2ccccc2n1
InChIInChI=1S/C22H23N3O2/c1-27-20-13-7-6-12-19(20)25-21-14-17(16-10-4-5-11-18(16)24-21)22(26)23-15-8-2-3-9-15/h4-7,10-15H,2-3,8-9H2,1H3,(H,23,26)(H,24,25)
InChIKeyUILWGNPVUDQZHU-UHFFFAOYSA-N
XLogP4.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide (CID 15990935) is N-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide is COc1ccccc1Nc1cc(C(=O)NC2CCCC2)c2ccccc2n1.
What is the InChIKey of N-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide?
The InChIKey is UILWGNPVUDQZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-20-13-7-6-12-19(20)25-21-14-17(16-10-4-5-11-18(16)24-21)22(26)23-15-8-2-3-9-15/h4-7,10-15H,2-3,8-9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide?
N-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methoxyanilino)quinoline-4-carboxamide is sourced from PubChem (CID 15990935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).