N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide

C22H23N3O — CID 745042

IUPACN-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(N3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C22H23N3O/c1-16-8-7-9-17(14-16)23-22(26)19-15-21(25-12-5-2-6-13-25)24-20-11-4-3-10-18(19)20/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,23,26)
InChIKeyLKOUAJDGMIWHAI-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.79
Rot. Bonds3

About N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide

N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide (PubChem CID 745042) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
PubChem CID745042
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(N3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C22H23N3O/c1-16-8-7-9-17(14-16)23-22(26)19-15-21(25-12-5-2-6-13-25)24-20-11-4-3-10-18(19)20/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,23,26)
InChIKeyLKOUAJDGMIWHAI-UHFFFAOYSA-N
XLogP4.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 659672
N-(3-methylphenyl)-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360419
6-[(3-methylbenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 50784104
2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1009474
6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide
CID 53020839
2-(5-chlorothiophen-2-yl)-N-(3-methylphenyl)quinoline-4-carboxamide
CID 1219796
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
CID 22146674
6-[(2-methylbenzoyl)amino]-2-[4-(3-methylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid;trihydrochloride
CID 146058146
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide (CID 745042) is N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide is Cc1cccc(NC(=O)c2cc(N3CCCCC3)nc3ccccc23)c1.
What is the InChIKey of N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide?
The InChIKey is LKOUAJDGMIWHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-8-7-9-17(14-16)23-22(26)19-15-21(25-12-5-2-6-13-25)24-20-11-4-3-10-18(19)20/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,23,26).
What are the key properties of N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide?
N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 745042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).