N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide

C20H23N5O — CID 178088836

IUPACN-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide
SMILESCc1c(-c2cc(C(=O)NCCCC3CC3)nc3ccccc23)nnn1C
InChIInChI=1S/C20H23N5O/c1-13-19(23-24-25(13)2)16-12-18(22-17-8-4-3-7-15(16)17)20(26)21-11-5-6-14-9-10-14/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,21,26)
InChIKeyFARGQOXCBXXWND-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.26
Rot. Bonds6

About N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide

N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide (PubChem CID 178088836) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide
PubChem CID178088836
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide
SMILESCc1c(-c2cc(C(=O)NCCCC3CC3)nc3ccccc23)nnn1C
InChIInChI=1S/C20H23N5O/c1-13-19(23-24-25(13)2)16-12-18(22-17-8-4-3-7-15(16)17)20(26)21-11-5-6-14-9-10-14/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,21,26)
InChIKeyFARGQOXCBXXWND-UHFFFAOYSA-N
XLogP3.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55761903
4-(6-chloro-1-methyl-2,3-didehydro-4H-pyridazin-2-ium-5-yl)-N-pentylquinoline-2-carboxamide
CID 178088841
4-bromo-N-pentylquinoline-2-carboxamide
CID 178088871
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
6-(1-cyanocyclopropyl)-N-(4-cyclopropylbutyl)-4-(1,5-dimethylpyrazol-4-yl)-5-methylpyridine-2-carboxamide
CID 176975788
4-(dimethylamino)-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butyl]quinoline-2-carboxamide
CID 124737653
1-chloro-N-(2-cyclobutylethyl)isoquinoline-3-carboxamide
CID 115687065
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251
4-(2-adamantyl)-N-butylquinoline-2-carboxamide
CID 5273600
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]quinoline-2-carboxamide
CID 63375694

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide?
The IUPAC name of N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide (CID 178088836) is N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide is Cc1c(-c2cc(C(=O)NCCCC3CC3)nc3ccccc23)nnn1C.
What is the InChIKey of N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide?
The InChIKey is FARGQOXCBXXWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-19(23-24-25(13)2)16-12-18(22-17-8-4-3-7-15(16)17)20(26)21-11-5-6-14-9-10-14/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,21,26).
What are the key properties of N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide?
N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-4-(1,5-dimethyltriazol-4-yl)quinoline-2-carboxamide is sourced from PubChem (CID 178088836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).