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

C23H22N4O3 — CID 3508059

IUPACN-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12
InChIInChI=1S/C23H22N4O3/c28-22(24-7-9-26-10-12-30-13-11-26)18-6-3-8-27-21(18)25-20-15-17-5-2-1-4-16(17)14-19(20)23(27)29/h1-6,8,14-15H,7,9-13H2,(H,24,28)
InChIKeyKXSCXXIFXNDHCZ-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.06
Rot. Bonds4

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

N-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (PubChem CID 3508059) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
PubChem CID3508059
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12
InChIInChI=1S/C23H22N4O3/c28-22(24-7-9-26-10-12-30-13-11-26)18-6-3-8-27-21(18)25-20-15-17-5-2-1-4-16(17)14-19(20)23(27)29/h1-6,8,14-15H,7,9-13H2,(H,24,28)
InChIKeyKXSCXXIFXNDHCZ-UHFFFAOYSA-N
XLogP2.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide (CID 3508059) is N-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is O=C(NCCN1CCOCC1)c1cccn2c(=O)c3cc4ccccc4cc3nc12.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
The InChIKey is KXSCXXIFXNDHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-22(24-7-9-26-10-12-30-13-11-26)18-6-3-8-27-21(18)25-20-15-17-5-2-1-4-16(17)14-19(20)23(27)29/h1-6,8,14-15H,7,9-13H2,(H,24,28).
What are the key properties of N-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide?
N-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide is sourced from PubChem (CID 3508059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).