4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide

C17H19N7O — CID 21426371

IUPAC4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc(NC2CCCCC2)c2ccccc2n1
InChIInChI=1S/C17H19N7O/c25-16(20-17-21-23-24-22-17)15-10-14(18-11-6-2-1-3-7-11)12-8-4-5-9-13(12)19-15/h4-5,8-11H,1-3,6-7H2,(H,18,19)(H2,20,21,22,23,24,25)
InChIKeyDJYFMFTYAXWGAM-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.74
Rot. Bonds4

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

4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide (PubChem CID 21426371) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
PubChem CID21426371
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc(NC2CCCCC2)c2ccccc2n1
InChIInChI=1S/C17H19N7O/c25-16(20-17-21-23-24-22-17)15-10-14(18-11-6-2-1-3-7-11)12-8-4-5-9-13(12)19-15/h4-5,8-11H,1-3,6-7H2,(H,18,19)(H2,20,21,22,23,24,25)
InChIKeyDJYFMFTYAXWGAM-UHFFFAOYSA-N
XLogP2.74
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide
CID 45052924
N-cyclohexyl-2H-tetrazol-5-amine
CID 67803825
4-(methylamino)-N-(1,2,4-triazin-3-yl)quinoline-2-carboxamide
CID 114389478
2-chloro-N-cycloheptylquinazolin-4-amine
CID 22692826
2-chloro-N-cyclododecylquinazolin-4-amine
CID 22692916
2-(cyclohexylamino)-N-(2-methylquinolin-4-yl)acetamide;oxalic acid
CID 44784192
2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322701
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
CID 70476554
CID 70476554
1-N-(4-cyclohexylphenyl)-4-N-(2H-tetrazol-5-yl)benzene-1,4-dicarboxamide
CID 22501855
2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 3656022
3-cyclohexyloxy-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 11235067

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide (CID 21426371) is 4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide is O=C(Nc1nn[nH]n1)c1cc(NC2CCCCC2)c2ccccc2n1.
What is the InChIKey of 4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
The InChIKey is DJYFMFTYAXWGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c25-16(20-17-21-23-24-22-17)15-10-14(18-11-6-2-1-3-7-11)12-8-4-5-9-13(12)19-15/h4-5,8-11H,1-3,6-7H2,(H,18,19)(H2,20,21,22,23,24,25).
What are the key properties of 4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide is sourced from PubChem (CID 21426371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).