N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide

C23H22N4O2 — CID 162763985

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESCN1CCCC1CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12
InChIInChI=1S/C23H22N4O2/c1-26-10-4-8-17(26)14-24-22(28)18-9-5-11-27-21(18)25-20-13-16-7-3-2-6-15(16)12-19(20)23(27)29/h2-3,5-7,9,11-13,17H,4,8,10,14H2,1H3,(H,24,28)
InChIKeyWFUAXNSUEKKLNA-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.82
Rot. Bonds3

About N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide

N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (PubChem CID 162763985) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
PubChem CID162763985
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESCN1CCCC1CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12
InChIInChI=1S/C23H22N4O2/c1-26-10-4-8-17(26)14-24-22(28)18-9-5-11-27-21(18)25-20-13-16-7-3-2-6-15(16)12-19(20)23(27)29/h2-3,5-7,9,11-13,17H,4,8,10,14H2,1H3,(H,24,28)
InChIKeyWFUAXNSUEKKLNA-UHFFFAOYSA-N
XLogP2.82
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (CID 162763985) is N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is CN1CCCC1CNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The InChIKey is WFUAXNSUEKKLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26-10-4-8-17(26)14-24-22(28)18-9-5-11-27-21(18)25-20-13-16-7-3-2-6-15(16)12-19(20)23(27)29/h2-3,5-7,9,11-13,17H,4,8,10,14H2,1H3,(H,24,28).
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is sourced from PubChem (CID 162763985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).