N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide

C24H27N3O — CID 11516293

IUPACN-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
SMILESCN(C)C1(C(NC(=O)c2ccnc3ccccc23)c2ccccc2)CCCC1
InChIInChI=1S/C24H27N3O/c1-27(2)24(15-8-9-16-24)22(18-10-4-3-5-11-18)26-23(28)20-14-17-25-21-13-7-6-12-19(20)21/h3-7,10-14,17,22H,8-9,15-16H2,1-2H3,(H,26,28)
InChIKeyDHBPXAWICFVAJT-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.58
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide

N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide (PubChem CID 11516293) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
PubChem CID11516293
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
SMILESCN(C)C1(C(NC(=O)c2ccnc3ccccc23)c2ccccc2)CCCC1
InChIInChI=1S/C24H27N3O/c1-27(2)24(15-8-9-16-24)22(18-10-4-3-5-11-18)26-23(28)20-14-17-25-21-13-7-6-12-19(20)21/h3-7,10-14,17,22H,8-9,15-16H2,1-2H3,(H,26,28)
InChIKeyDHBPXAWICFVAJT-UHFFFAOYSA-N
XLogP4.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11576123
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
CID 11537937
6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide
CID 11711197
1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 112726709
N-[[1-(diethylamino)cyclopentyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11669990
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide
CID 11539036
N-(2-methyl-1-phenylpropyl)quinoline-5-carboxamide
CID 43040180
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-8-methyl-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11683926
2,3,6-trichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]benzamide
CID 59347870
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide (CID 11516293) is N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide is CN(C)C1(C(NC(=O)c2ccnc3ccccc23)c2ccccc2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide?
The InChIKey is DHBPXAWICFVAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-27(2)24(15-8-9-16-24)22(18-10-4-3-5-11-18)26-23(28)20-14-17-25-21-13-7-6-12-19(20)21/h3-7,10-14,17,22H,8-9,15-16H2,1-2H3,(H,26,28).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide?
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide is sourced from PubChem (CID 11516293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).