N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C16H17N7O2 — CID 135637573

IUPACN-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c(=O)c2c1)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C16H17N7O2/c24-14-12-8-11(4-5-13(12)17-9-18-14)20-15(25)16(6-2-1-3-7-16)23-10-19-21-22-23/h4-5,8-10H,1-3,6-7H2,(H,20,25)(H,17,18,24)
InChIKeyWONRWQPRKBYOEV-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.21
Rot. Bonds3

About N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 135637573) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID135637573
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC NameN-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c(=O)c2c1)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C16H17N7O2/c24-14-12-8-11(4-5-13(12)17-9-18-14)20-15(25)16(6-2-1-3-7-16)23-10-19-21-22-23/h4-5,8-10H,1-3,6-7H2,(H,20,25)(H,17,18,24)
InChIKeyWONRWQPRKBYOEV-UHFFFAOYSA-N
XLogP1.21
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 91821227
N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 45494171
N-(4-oxo-3H-quinazolin-6-yl)-1-phenylcyclobutane-1-carboxamide
CID 154800942
2-[3-[[1-(tetrazol-1-yl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 136552003
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
N-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125433760
3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 136869714
1-(4-methylphenyl)-3-(4-oxo-3H-quinazolin-6-yl)thiourea
CID 135537826
2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide
CID 136827778
3-(2,5-dimethylpyrrol-1-yl)-N-(4-oxo-3H-quinazolin-6-yl)propanamide
CID 135637599
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 45493855
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 75490655

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 135637573) is N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is O=C(Nc1ccc2nc[nH]c(=O)c2c1)C1(n2cnnn2)CCCCC1.
What is the InChIKey of N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is WONRWQPRKBYOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c24-14-12-8-11(4-5-13(12)17-9-18-14)20-15(25)16(6-2-1-3-7-16)23-10-19-21-22-23/h4-5,8-10H,1-3,6-7H2,(H,20,25)(H,17,18,24).
What are the key properties of N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3H-quinazolin-6-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 135637573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).