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

C25H29ClN4O4 — CID 53319604

IUPAC2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O
InChIInChI=1S/C25H29ClN4O4/c1-2-27-23(31)17-30-24(18-5-3-6-19(26)15-18)28-22-8-7-20(16-21(22)25(30)32)34-12-4-9-29-10-13-33-14-11-29/h3,5-8,15-16H,2,4,9-14,17H2,1H3,(H,27,31)
InChIKeyIOURICJRASUOGW-UHFFFAOYSA-N
MW484.98 g/mol
LogP2.95
Rot. Bonds9

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

2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide (PubChem CID 53319604) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide
PubChem CID53319604
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC Name2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(-c2cccc(Cl)c2)nc2ccc(OCCCN3CCOCC3)cc2c1=O
InChIInChI=1S/C25H29ClN4O4/c1-2-27-23(31)17-30-24(18-5-3-6-19(26)15-18)28-22-8-7-20(16-21(22)25(30)32)34-12-4-9-29-10-13-33-14-11-29/h3,5-8,15-16H,2,4,9-14,17H2,1H3,(H,27,31)
InChIKeyIOURICJRASUOGW-UHFFFAOYSA-N
XLogP2.95
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 52.95
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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Related Compounds

2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide
CID 53322163
N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
CID 53322990
2-[2-(3-chlorophenyl)-6-[3-(2-methylpyrrolidin-1-yl)propoxy]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68688604
2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-methylacetamide
CID 53316999
2-[2-(3-ethylphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525546
2-[4-oxo-6-(3-piperidin-1-ylpropoxy)-2-[3-(trifluoromethoxy)phenyl]quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68521682
2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
CID 91561241
2-[2-(3-methoxyphenyl)-4-oxo-7-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522971
2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511779
2-(3-chlorophenyl)-4-ethoxy-N-(3-morpholin-4-ylpropyl)quinoline-6-carboxamide
CID 46318912
N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide
CID 68688428
2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 110171556

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide (CID 53319604) is 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide is CCNC(=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-ethylacetamide?
The InChIKey is IOURICJRASUOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c1-2-27-23(31)17-30-24(18-5-3-6-19(26)15-18)28-22-8-7-20(16-21(22)25(30)32)34-12-4-9-29-10-13-33-14-11-29/h3,5-8,15-16H,2,4,9-14,17H2,1H3,(H,27,31).
What are the key properties of 2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide?
2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide has a molecular weight of 484.98 g/mol, XLogP of 2.95, 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-ethylacetamide is sourced from PubChem (CID 53319604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).