N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide

C12H10N6O — CID 78954261

IUPACN-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1nn[nH]n1)c1ccnc2ccccc12
InChIInChI=1S/C12H10N6O/c19-12(14-7-11-15-17-18-16-11)9-5-6-13-10-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,19)(H,15,16,17,18)
InChIKeyJZZVGORTJUMDGE-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.68
Rot. Bonds3

About N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide

N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide (PubChem CID 78954261) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide
PubChem CID78954261
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC NameN-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1nn[nH]n1)c1ccnc2ccccc12
InChIInChI=1S/C12H10N6O/c19-12(14-7-11-15-17-18-16-11)9-5-6-13-10-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,19)(H,15,16,17,18)
InChIKeyJZZVGORTJUMDGE-UHFFFAOYSA-N
XLogP0.68
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106771195
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
1-[(quinoline-4-carbonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115449424
N-(2-bromobutyl)quinoline-4-carboxamide
CID 113492901
2-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 103854330
7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide
CID 170555357
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
CID 59018404
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
N-[2-(benzenesulfonyl)ethyl]quinoline-4-carboxamide
CID 60515386

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide (CID 78954261) is N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide is O=C(NCc1nn[nH]n1)c1ccnc2ccccc12.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide?
The InChIKey is JZZVGORTJUMDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c19-12(14-7-11-15-17-18-16-11)9-5-6-13-10-4-2-1-3-8(9)10/h1-6H,7H2,(H,14,19)(H,15,16,17,18).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide?
N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 78954261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).