N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide

C18H19N5O — CID 172895594

IUPACN-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide
SMILESO=C(NC1CC(NCc2ncc[nH]2)C1)c1ccnc2ccccc12
InChIInChI=1S/C18H19N5O/c24-18(15-5-6-19-16-4-2-1-3-14(15)16)23-13-9-12(10-13)22-11-17-20-7-8-21-17/h1-8,12-13,22H,9-11H2,(H,20,21)(H,23,24)
InChIKeyDKXDRCVBGWWXJI-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.01
Rot. Bonds5

About N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide

N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide (PubChem CID 172895594) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide
PubChem CID172895594
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide
SMILESO=C(NC1CC(NCc2ncc[nH]2)C1)c1ccnc2ccccc12
InChIInChI=1S/C18H19N5O/c24-18(15-5-6-19-16-4-2-1-3-14(15)16)23-13-9-12(10-13)22-11-17-20-7-8-21-17/h1-8,12-13,22H,9-11H2,(H,20,21)(H,23,24)
InChIKeyDKXDRCVBGWWXJI-UHFFFAOYSA-N
XLogP2.01
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 81485515
N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 81478788
N-(3-hydroxy-2,2-dimethylcyclobutyl)quinoline-4-carboxamide
CID 114631332
N-(4-ethynylcyclohexyl)quinoline-4-carboxamide
CID 174665969
3-(2-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutan-1-amine
CID 64545634
N-[(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclopentyl]quinoline-4-carboxamide
CID 56883665
N-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]quinoline-4-carboxamide;hydrochloride
CID 154922206
(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111056
2-[2-(1H-imidazol-2-ylmethylamino)-2-oxoethyl]benzoic acid
CID 104601596
N-[(3R,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]quinoline-4-carboxamide
CID 155498681
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
CID 59018404
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide?
The IUPAC name of N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide (CID 172895594) is N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide?
The canonical SMILES for N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide is O=C(NC1CC(NCc2ncc[nH]2)C1)c1ccnc2ccccc12.
What is the InChIKey of N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide?
The InChIKey is DKXDRCVBGWWXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(15-5-6-19-16-4-2-1-3-14(15)16)23-13-9-12(10-13)22-11-17-20-7-8-21-17/h1-8,12-13,22H,9-11H2,(H,20,21)(H,23,24).
What are the key properties of N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide?
N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-ylmethylamino)cyclobutyl]quinoline-4-carboxamide is sourced from PubChem (CID 172895594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).