N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide

C17H21N3O — CID 115365406

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
SMILESNCC1(CNC(=O)c2ccnc3ccccc23)CCCC1
InChIInChI=1S/C17H21N3O/c18-11-17(8-3-4-9-17)12-20-16(21)14-7-10-19-15-6-2-1-5-13(14)15/h1-2,5-7,10H,3-4,8-9,11-12,18H2,(H,20,21)
InChIKeyBFYHSSDUZBZZFZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.48
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide

N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide (PubChem CID 115365406) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
PubChem CID115365406
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
SMILESNCC1(CNC(=O)c2ccnc3ccccc23)CCCC1
InChIInChI=1S/C17H21N3O/c18-11-17(8-3-4-9-17)12-20-16(21)14-7-10-19-15-6-2-1-5-13(14)15/h1-2,5-7,10H,3-4,8-9,11-12,18H2,(H,20,21)
InChIKeyBFYHSSDUZBZZFZ-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449424
N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
CID 115668807
1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 112726709
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 103970138
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-(1-cyanocyclopentyl)quinoline-4-carboxamide
CID 112722770
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-tert-butylbenzamide
CID 115365396
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-ethoxybenzamide
CID 103970265
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-[3-(2-aminoethoxy)propyl]quinoline-4-carboxamide
CID 106307902
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
N-[[1-(aminomethyl)cyclopropyl]methyl]quinoline-8-carboxamide
CID 115456767

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide (CID 115365406) is N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide is NCC1(CNC(=O)c2ccnc3ccccc23)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide?
The InChIKey is BFYHSSDUZBZZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-11-17(8-3-4-9-17)12-20-16(21)14-7-10-19-15-6-2-1-5-13(14)15/h1-2,5-7,10H,3-4,8-9,11-12,18H2,(H,20,21).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 115365406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).