2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

C26H31ClN4O4 — CID 53318916

IUPAC2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O
InChIInChI=1S/C26H31ClN4O4/c1-18(2)28-24(32)17-31-25(19-5-3-6-20(27)15-19)29-23-8-7-21(16-22(23)26(31)33)35-12-4-9-30-10-13-34-14-11-30/h3,5-8,15-16,18H,4,9-14,17H2,1-2H3,(H,28,32)
InChIKeyMNGVSJCVDCESBM-UHFFFAOYSA-N
MW499.01 g/mol
LogP3.34
Rot. Bonds9

About 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (PubChem CID 53318916) has the molecular formula C26H31ClN4O4 and a molecular weight of 499.01 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
PubChem CID53318916
Molecular FormulaC26H31ClN4O4
Molecular Weight499.01 g/mol
Exact Mass498.20
IUPAC Name2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O
InChIInChI=1S/C26H31ClN4O4/c1-18(2)28-24(32)17-31-25(19-5-3-6-20(27)15-19)29-23-8-7-21(16-22(23)26(31)33)35-12-4-9-30-10-13-34-14-11-30/h3,5-8,15-16,18H,4,9-14,17H2,1-2H3,(H,28,32)
InChIKeyMNGVSJCVDCESBM-UHFFFAOYSA-N
XLogP3.34
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.01
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (CID 53318916) is 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O.
What is the InChIKey of 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is MNGVSJCVDCESBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O4/c1-18(2)28-24(32)17-31-25(19-5-3-6-20(27)15-19)29-23-8-7-21(16-22(23)26(31)33)35-12-4-9-30-10-13-34-14-11-30/h3,5-8,15-16,18H,4,9-14,17H2,1-2H3,(H,28,32).
What are the key properties of 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 499.01 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 53318916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).