1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide

C14H16N4O — CID 107971880

IUPAC1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2cccc3c2CCCN3)c1
InChIInChI=1S/C14H16N4O/c1-18-8-13(16-9-18)14(19)17-12-6-2-5-11-10(12)4-3-7-15-11/h2,5-6,8-9,15H,3-4,7H2,1H3,(H,17,19)
InChIKeyZWCYVGVOMYENMK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.03
Rot. Bonds2

About 1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide

1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide (PubChem CID 107971880) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide
PubChem CID107971880
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2cccc3c2CCCN3)c1
InChIInChI=1S/C14H16N4O/c1-18-8-13(16-9-18)14(19)17-12-6-2-5-11-10(12)4-3-7-15-11/h2,5-6,8-9,15H,3-4,7H2,1H3,(H,17,19)
InChIKeyZWCYVGVOMYENMK-UHFFFAOYSA-N
XLogP2.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Vapitadine
CID 9842252
Vapitadine Dihydrochloride
CID 9842251
9-[4-(decahydroquinolin-1-yl)butyl]-2-(phenylamino)-6,9-dihydro-3H-purin-6-one dihydrochloride
CID 135514465
2-anilino-9-[4-(2-phenyl-1-piperidyl)butyl]-1H-purin-6-one
CID 135514486
2-anilino-9-[4-(3,4-dihydro-2H-quinolin-1-yl)butyl]-1H-purin-6-one
CID 135518344
7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one
CID 156596361
3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
CID 155669602
2-[2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-4(3h)-quinazolinone
CID 136147462
1-(2-tert-Butylphenyl)-4-(1H-imidazol-4-ylcarbonyl)piperazine
CID 66751133
1-methyl-N-(3-methyl-4-(trifluoromethyl)phenyl)-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439457
2-(1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-ethylphenyl)acetamide
CID 975372

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide (CID 107971880) is 1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide is Cn1cnc(C(=O)Nc2cccc3c2CCCN3)c1.
What is the InChIKey of 1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide?
The InChIKey is ZWCYVGVOMYENMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-8-13(16-9-18)14(19)17-12-6-2-5-11-10(12)4-3-7-15-11/h2,5-6,8-9,15H,3-4,7H2,1H3,(H,17,19).
What are the key properties of 1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide?
1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,2,3,4-tetrahydroquinolin-5-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107971880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).