N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide

C15H14N6O — CID 167832169

IUPACN-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccnc2ccccc12)C1(c2nn[nH]n2)CCC1
InChIInChI=1S/C15H14N6O/c22-14(15(7-3-8-15)13-18-20-21-19-13)17-12-6-9-16-11-5-2-1-4-10(11)12/h1-2,4-6,9H,3,7-8H2,(H,16,17,22)(H,18,19,20,21)
InChIKeyXZTNOXAGCCCYTF-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.81
Rot. Bonds3

About N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide

N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide (PubChem CID 167832169) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide
PubChem CID167832169
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC NameN-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide
SMILESO=C(Nc1ccnc2ccccc12)C1(c2nn[nH]n2)CCC1
InChIInChI=1S/C15H14N6O/c22-14(15(7-3-8-15)13-18-20-21-19-13)17-12-6-9-16-11-5-2-1-4-10(11)12/h1-2,4-6,9H,3,7-8H2,(H,16,17,22)(H,18,19,20,21)
InChIKeyXZTNOXAGCCCYTF-UHFFFAOYSA-N
XLogP1.81
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2H-tetrazol-5-ylmethyl)quinoline-4-carboxamide
CID 78954261
4-ethyl-N-quinolin-5-ylpiperidine-4-carboxamide
CID 63127284
2-(quinolin-4-ylamino)acetamide
CID 61340443
N-naphthalen-1-yl-1-phenylcyclobutane-1-carboxamide
CID 32618502
1-[(quinolin-4-ylamino)methyl]cyclopentan-1-ol
CID 65110731
3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide
CID 156839177
N-(quinolin-4-ylcarbamoyl)prop-2-enamide
CID 59502710
2-(4-hydroxyphenyl)-N-quinolin-5-ylacetamide
CID 78838145
N-isoquinolin-1-yl-1-phenylcyclohexane-1-carboxamide
CID 58842701
N-[(1-hydroxycyclobutyl)methyl]quinoline-5-carboxamide
CID 115668807
N-[[1-(aminomethyl)cyclopentyl]methyl]quinoline-4-carboxamide
CID 115365406
3-(quinolin-4-ylamino)butanamide
CID 115685011

Frequently Asked Questions

What is the IUPAC name of N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide (CID 167832169) is N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide is O=C(Nc1ccnc2ccccc12)C1(c2nn[nH]n2)CCC1.
What is the InChIKey of N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide?
The InChIKey is XZTNOXAGCCCYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c22-14(15(7-3-8-15)13-18-20-21-19-13)17-12-6-9-16-11-5-2-1-4-10(11)12/h1-2,4-6,9H,3,7-8H2,(H,16,17,22)(H,18,19,20,21).
What are the key properties of N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide?
N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 167832169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).