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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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).