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

C27H31ClN4O4 — CID 53322163

IUPAC2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1
InChIInChI=1S/C27H31ClN4O4/c28-21-6-4-20(5-7-21)26-30-24-9-8-22(36-13-1-10-31-11-14-35-15-12-31)16-23(24)27(34)32(26)18-25(33)29-17-19-2-3-19/h4-9,16,19H,1-3,10-15,17-18H2,(H,29,33)
InChIKeyKMMIYFABPRPGMU-UHFFFAOYSA-N
MW511.02 g/mol
LogP3.34
Rot. Bonds10

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

2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 53322163) has the molecular formula C27H31ClN4O4 and a molecular weight of 511.02 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID53322163
Molecular FormulaC27H31ClN4O4
Molecular Weight511.02 g/mol
Exact Mass510.20
IUPAC Name2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1
InChIInChI=1S/C27H31ClN4O4/c28-21-6-4-20(5-7-21)26-30-24-9-8-22(36-13-1-10-31-11-14-35-15-12-31)16-23(24)27(34)32(26)18-25(33)29-17-19-2-3-19/h4-9,16,19H,1-3,10-15,17-18H2,(H,29,33)
InChIKeyKMMIYFABPRPGMU-UHFFFAOYSA-N
XLogP3.34
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.02
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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Related Compounds

2-[2-(3-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide
CID 53319604
N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
CID 53322990
2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-methylacetamide
CID 53316999
2-[2-(3-chlorophenyl)-6-[3-(2-methylpyrrolidin-1-yl)propoxy]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68688604
2-[2-(3-ethylphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525546
N-cyclopropyl-N-methyl-2-[6-[(2S)-2-methyl-3-morpholin-4-ylpropoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide
CID 68688428
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-[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
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17033154
2-[2-(3-methoxyphenyl)-4-oxo-7-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522971
N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 2417400

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide (CID 53322163) is 2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide is O=C(Cn1c(-c2ccc(Cl)cc2)nc2ccc(OCCCN3CCOCC3)cc2c1=O)NCC1CC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is KMMIYFABPRPGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O4/c28-21-6-4-20(5-7-21)26-30-24-9-8-22(36-13-1-10-31-11-14-35-15-12-31)16-23(24)27(34)32(26)18-25(33)29-17-19-2-3-19/h4-9,16,19H,1-3,10-15,17-18H2,(H,29,33).
What are the key properties of 2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide?
2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 511.02 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 53322163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).