3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide

C19H16N4O4 — CID 15944878

IUPAC3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H16N4O4/c24-18(12-4-3-5-14(10-12)23(26)27)20-13-7-8-16-15(11-13)19(25)22-9-2-1-6-17(22)21-16/h3-5,7-8,10-11H,1-2,6,9H2,(H,20,24)
InChIKeyCMEBOQLOPXZYKI-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.89
Rot. Bonds3

About 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide

3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide (PubChem CID 15944878) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
PubChem CID15944878
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
SMILESO=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H16N4O4/c24-18(12-4-3-5-14(10-12)23(26)27)20-13-7-8-16-15(11-13)19(25)22-9-2-1-6-17(22)21-16/h3-5,7-8,10-11H,1-2,6,9H2,(H,20,24)
InChIKeyCMEBOQLOPXZYKI-UHFFFAOYSA-N
XLogP2.89
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 11373432
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CID 130919
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CID 928447
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CID 135399488
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CID 165308
CID 165308
CID 63708
CID 63708
CID 4259167
CID 4259167
CID 5343305
CID 5343305
CID 11224214
CID 11224214
CID 15951509
CID 15951509
CID 135405036
CID 135405036
CID 15993299
CID 15993299

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The IUPAC name of 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide (CID 15944878) is 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide.
What is the SMILES notation for 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The canonical SMILES for 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide is O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
The InChIKey is CMEBOQLOPXZYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c24-18(12-4-3-5-14(10-12)23(26)27)20-13-7-8-16-15(11-13)19(25)22-9-2-1-6-17(22)21-16/h3-5,7-8,10-11H,1-2,6,9H2,(H,20,24).
What are the key properties of 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide?
3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide has a molecular weight of 364.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide is sourced from PubChem (CID 15944878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).