N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

C20H28N6O — CID 51129413

IUPACN-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCCC(C)NC(=O)C1CC(C)N(Cc2nnnn2C2CC2)c2ccccc21
InChIInChI=1S/C20H28N6O/c1-4-13(2)21-20(27)17-11-14(3)25(18-8-6-5-7-16(17)18)12-19-22-23-24-26(19)15-9-10-15/h5-8,13-15,17H,4,9-12H2,1-3H3,(H,21,27)
InChIKeyXQGAIECKNBKDGZ-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.81
Rot. Bonds6

About N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide

N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 51129413) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID51129413
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCCC(C)NC(=O)C1CC(C)N(Cc2nnnn2C2CC2)c2ccccc21
InChIInChI=1S/C20H28N6O/c1-4-13(2)21-20(27)17-11-14(3)25(18-8-6-5-7-16(17)18)12-19-22-23-24-26(19)15-9-10-15/h5-8,13-15,17H,4,9-12H2,1-3H3,(H,21,27)
InChIKeyXQGAIECKNBKDGZ-UHFFFAOYSA-N
XLogP2.81
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide with MolForge

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Related Compounds

3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3175118
3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3175119
3-[(1-cyclopropyltetrazol-5-yl)methyl]-1H-quinazoline-2,4-dione
CID 75422587
2-(5-aminotetrazol-1-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide
CID 125518919
1-ethyl-N-[(1S)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-(4-methylcyclohexyl)-2-oxoethyl]tetrazole-5-carboxamide
CID 156188856
N-[(1S)-2-[4-[(2S,3R)-3-[[cyclopropyl(methyl)carbamoyl]amino]-4-[(3R)-3,4-dimethylpiperazin-1-yl]-4-oxobutan-2-yl]-2-fluoroanilino]-1-(4-methylcyclohexyl)-2-oxoethyl]-1-ethyltetrazole-5-carboxamide
CID 156189061
1-[(S)-[4-(dimethylamino)phenyl]-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 6986079
1-[(R)-[4-(dimethylamino)phenyl]-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 6986080
(2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide
CID 27620534
(2S)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide
CID 27620537
(2R)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide
CID 29745588
(2S)-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide
CID 29745591

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide (CID 51129413) is N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is CCC(C)NC(=O)C1CC(C)N(Cc2nnnn2C2CC2)c2ccccc21.
What is the InChIKey of N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is XQGAIECKNBKDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-4-13(2)21-20(27)17-11-14(3)25(18-8-6-5-7-16(17)18)12-19-22-23-24-26(19)15-9-10-15/h5-8,13-15,17H,4,9-12H2,1-3H3,(H,21,27).
What are the key properties of N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide?
N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 51129413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).