1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide

C25H26N4O3 — CID 44576970

IUPAC1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1Cc2ccccc2N(CCN2CCOCC2)C1=O
InChIInChI=1S/C25H26N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-11H,12-18H2,(H,26,30)
InChIKeyHJLBLBURTOHNHG-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.15
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide

1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide (PubChem CID 44576970) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide
PubChem CID44576970
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1Cc2ccccc2N(CCN2CCOCC2)C1=O
InChIInChI=1S/C25H26N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-11H,12-18H2,(H,26,30)
InChIKeyHJLBLBURTOHNHG-UHFFFAOYSA-N
XLogP4.15
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide (CID 44576970) is 1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide is O=C(Nc1cccc2ccccc12)N1Cc2ccccc2N(CCN2CCOCC2)C1=O.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide?
The InChIKey is HJLBLBURTOHNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-11H,12-18H2,(H,26,30).
What are the key properties of 1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide?
1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxo-4H-quinazoline-3-carboxamide is sourced from PubChem (CID 44576970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).