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

C23H22N4O2 — CID 90644350

IUPACN-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESCN1CCC(NC(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23)CC1
InChIInChI=1S/C23H22N4O2/c1-26-11-8-17(9-12-26)24-22(28)18-7-4-10-27-21(18)25-20-14-16-6-3-2-5-15(16)13-19(20)23(27)29/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,24,28)
InChIKeyNUKUDYATSNPVIG-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.82
Rot. Bonds2

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

N-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (PubChem CID 90644350) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
PubChem CID90644350
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESCN1CCC(NC(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23)CC1
InChIInChI=1S/C23H22N4O2/c1-26-11-8-17(9-12-26)24-22(28)18-7-4-10-27-21(18)25-20-14-16-6-3-2-5-15(16)13-19(20)23(27)29/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,24,28)
InChIKeyNUKUDYATSNPVIG-UHFFFAOYSA-N
XLogP2.82
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (CID 90644350) is N-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is CN1CCC(NC(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The InChIKey is NUKUDYATSNPVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26-11-8-17(9-12-26)24-22(28)18-7-4-10-27-21(18)25-20-14-16-6-3-2-5-15(16)13-19(20)23(27)29/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,24,28).
What are the key properties of N-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
N-(1-methylpiperidin-4-yl)-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, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is sourced from PubChem (CID 90644350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).