1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide

C18H15N7O2 — CID 14600470

IUPAC1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)Nc2nn[nH]n2)c(=O)n2ccccc12
InChIInChI=1S/C18H15N7O2/c1-24(12-7-3-2-4-8-12)15-11-13(16(26)19-18-20-22-23-21-18)17(27)25-10-6-5-9-14(15)25/h2-11H,1H3,(H2,19,20,21,22,23,26)
InChIKeyHKJMWQIEWREAKO-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.83
Rot. Bonds4

About 1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide

1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide (PubChem CID 14600470) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide.

Molecular Properties

Compound Name1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide
PubChem CID14600470
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)Nc2nn[nH]n2)c(=O)n2ccccc12
InChIInChI=1S/C18H15N7O2/c1-24(12-7-3-2-4-8-12)15-11-13(16(26)19-18-20-22-23-21-18)17(27)25-10-6-5-9-14(15)25/h2-11H,1H3,(H2,19,20,21,22,23,26)
InChIKeyHKJMWQIEWREAKO-UHFFFAOYSA-N
XLogP1.83
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide?
The IUPAC name of 1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide (CID 14600470) is 1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide.
What is the SMILES notation for 1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide?
The canonical SMILES for 1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide is CN(c1ccccc1)c1cc(C(=O)Nc2nn[nH]n2)c(=O)n2ccccc12.
What is the InChIKey of 1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide?
The InChIKey is HKJMWQIEWREAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-24(12-7-3-2-4-8-12)15-11-13(16(26)19-18-20-22-23-21-18)17(27)25-10-6-5-9-14(15)25/h2-11H,1H3,(H2,19,20,21,22,23,26).
What are the key properties of 1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide?
1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-methylanilino)-4-oxo-N-(2H-tetrazol-5-yl)quinolizine-3-carboxamide is sourced from PubChem (CID 14600470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).