4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide

C22H23N3O — CID 164946684

IUPAC4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide
SMILESCc1ccc2nc(C(=O)NC3CCCC3)cc(Nc3ccccc3)c2c1
InChIInChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyYSFGQDYFFHGWOC-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.96
Rot. Bonds4

About 4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide

4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide (PubChem CID 164946684) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide
PubChem CID164946684
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide
SMILESCc1ccc2nc(C(=O)NC3CCCC3)cc(Nc3ccccc3)c2c1
InChIInChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyYSFGQDYFFHGWOC-UHFFFAOYSA-N
XLogP4.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide?
The IUPAC name of 4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide (CID 164946684) is 4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide.
What is the SMILES notation for 4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide?
The canonical SMILES for 4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide is Cc1ccc2nc(C(=O)NC3CCCC3)cc(Nc3ccccc3)c2c1.
What is the InChIKey of 4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide?
The InChIKey is YSFGQDYFFHGWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide?
4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-cyclopentyl-6-methylquinoline-2-carboxamide is sourced from PubChem (CID 164946684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).