11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide

C25H25N5O2 — CID 3238635

IUPAC11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1cccn2c(=O)c3ccccc3nc12
InChIInChI=1S/C25H25N5O2/c31-24(26-12-14-28-15-17-29(18-16-28)19-7-2-1-3-8-19)21-10-6-13-30-23(21)27-22-11-5-4-9-20(22)25(30)32/h1-11,13H,12,14-18H2,(H,26,31)
InChIKeyYGPXUOAEFAHVNX-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.40
Rot. Bonds5

About 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide

11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide (PubChem CID 3238635) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound Name11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide
PubChem CID3238635
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)c1cccn2c(=O)c3ccccc3nc12
InChIInChI=1S/C25H25N5O2/c31-24(26-12-14-28-15-17-29(18-16-28)19-7-2-1-3-8-19)21-10-6-13-30-23(21)27-22-11-5-4-9-20(22)25(30)32/h1-11,13H,12,14-18H2,(H,26,31)
InChIKeyYGPXUOAEFAHVNX-UHFFFAOYSA-N
XLogP2.40
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.40
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 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide (CID 3238635) is 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide is O=C(NCCN1CCN(c2ccccc2)CC1)c1cccn2c(=O)c3ccccc3nc12.
What is the InChIKey of 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide?
The InChIKey is YGPXUOAEFAHVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-24(26-12-14-28-15-17-29(18-16-28)19-7-2-1-3-8-19)21-10-6-13-30-23(21)27-22-11-5-4-9-20(22)25(30)32/h1-11,13H,12,14-18H2,(H,26,31).
What are the key properties of 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide?
11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 3238635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).