11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide

C17H15N7O2 — CID 3080005

IUPAC11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide
SMILESCC(C)c1ccc2nc3ccc(C(=O)Nc4nn[nH]n4)cc3c(=O)n2c1
InChIInChI=1S/C17H15N7O2/c1-9(2)11-4-6-14-18-13-5-3-10(7-12(13)16(26)24(14)8-11)15(25)19-17-20-22-23-21-17/h3-9H,1-2H3,(H2,19,20,21,22,23,25)
InChIKeyHKTWEOQVKMAJQK-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.74
Rot. Bonds3

About 11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide

11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide (PubChem CID 3080005) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide.

Molecular Properties

Compound Name11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide
PubChem CID3080005
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide
SMILESCC(C)c1ccc2nc3ccc(C(=O)Nc4nn[nH]n4)cc3c(=O)n2c1
InChIInChI=1S/C17H15N7O2/c1-9(2)11-4-6-14-18-13-5-3-10(7-12(13)16(26)24(14)8-11)15(25)19-17-20-22-23-21-17/h3-9H,1-2H3,(H2,19,20,21,22,23,25)
InChIKeyHKTWEOQVKMAJQK-UHFFFAOYSA-N
XLogP1.74
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide with MolForge

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Related Compounds

11H-Pyrido(2,1-b)quinazolin-11-one, 2-(1-methylethyl)-8-(1H-tetrazol-5-yl)-
CID 13241180
5-methyl-9-oxo-N-(2H-tetrazol-5-yl)-1H-pyrazolo[5,1-b]quinazoline-2-carboxamide
CID 12724808
8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
CID 13019728
6-methyl-3-(1H-tetrazol-5-yl)-4(3H)-quinazolinone
CID 13267899
8-methyl-3-(1H-tetrazol-5-yl)-4(3H)-quinazolinone
CID 13267900
2-methyl-3-(1H-tetrazol-5-yl)-4(3H)-quinazolinone
CID 13267903
2-ethyl-3-(2H-tetrazol-5-yl)quinazolin-4-one
CID 13676793
11H-Pyrido(2,1-b)quinazolin-11-one, 2-(1H-tetrazol-5-yl)-
CID 3048828
11H-Pyrido(2,1-b)quinazolin-11-one, 8-(1-methylethyl)-2-(1H-tetrazol-5-yl)-
CID 3080008
2-methyl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
CID 13019729
N-[2-(diethylamino)ethyl]-11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxamide;dihydrochloride
CID 45260124
6,8-dimethyl-3-[3-(1H-tetrazol-5-yl)propyl]quinazolin-4(3H)-one
CID 124209146

Frequently Asked Questions

What is the IUPAC name of 11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide?
The IUPAC name of 11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide (CID 3080005) is 11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide.
What is the SMILES notation for 11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide?
The canonical SMILES for 11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide is CC(C)c1ccc2nc3ccc(C(=O)Nc4nn[nH]n4)cc3c(=O)n2c1.
What is the InChIKey of 11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide?
The InChIKey is HKTWEOQVKMAJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-9(2)11-4-6-14-18-13-5-3-10(7-12(13)16(26)24(14)8-11)15(25)19-17-20-22-23-21-17/h3-9H,1-2H3,(H2,19,20,21,22,23,25).
What are the key properties of 11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide?
11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide is sourced from PubChem (CID 3080005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).