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

C24H24N4O2 — CID 90644356

IUPAC12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12
InChIInChI=1S/C24H24N4O2/c29-23(25-10-14-27-11-4-1-5-12-27)19-9-6-13-28-22(19)26-21-16-18-8-3-2-7-17(18)15-20(21)24(28)30/h2-3,6-9,13,15-16H,1,4-5,10-12,14H2,(H,25,29)
InChIKeyTXTDKLMFBBYADC-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.22
Rot. Bonds4

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

12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (PubChem CID 90644356) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.

Molecular Properties

Compound Name12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
PubChem CID90644356
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12
InChIInChI=1S/C24H24N4O2/c29-23(25-10-14-27-11-4-1-5-12-27)19-9-6-13-28-22(19)26-21-16-18-8-3-2-7-17(18)15-20(21)24(28)30/h2-3,6-9,13,15-16H,1,4-5,10-12,14H2,(H,25,29)
InChIKeyTXTDKLMFBBYADC-UHFFFAOYSA-N
XLogP3.22
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.22
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 12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The IUPAC name of 12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (CID 90644356) is 12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.
What is the SMILES notation for 12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The canonical SMILES for 12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is O=C(NCCN1CCCCC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12.
What is the InChIKey of 12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The InChIKey is TXTDKLMFBBYADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-23(25-10-14-27-11-4-1-5-12-27)19-9-6-13-28-22(19)26-21-16-18-8-3-2-7-17(18)15-20(21)24(28)30/h2-3,6-9,13,15-16H,1,4-5,10-12,14H2,(H,25,29).
What are the key properties of 12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxo-N-(2-piperidin-1-ylethyl)-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is sourced from PubChem (CID 90644356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).