2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide

C27H32N4O5 — CID 91561241

IUPAC2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
SMILESCOc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2C(C(N)=O)C2CC2)c1
InChIInChI=1S/C27H32N4O5/c1-34-20-5-2-4-19(16-20)26-29-23-9-8-21(36-13-3-10-30-11-14-35-15-12-30)17-22(23)27(33)31(26)24(25(28)32)18-6-7-18/h2,4-5,8-9,16-18,24H,3,6-7,10-15H2,1H3,(H2,28,32)
InChIKeyRCLSINJXMLKCLQ-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.61
Rot. Bonds10

About 2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide

2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide (PubChem CID 91561241) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
PubChem CID91561241
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC Name2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
SMILESCOc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2C(C(N)=O)C2CC2)c1
InChIInChI=1S/C27H32N4O5/c1-34-20-5-2-4-19(16-20)26-29-23-9-8-21(36-13-3-10-30-11-14-35-15-12-30)17-22(23)27(33)31(26)24(25(28)32)18-6-7-18/h2,4-5,8-9,16-18,24H,3,6-7,10-15H2,1H3,(H2,28,32)
InChIKeyRCLSINJXMLKCLQ-UHFFFAOYSA-N
XLogP2.61
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-ethylacetamide
CID 53319604
2-[2-(3-methoxyphenyl)-4-oxo-7-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522971
6-methoxy-2-[3-(3-morpholin-4-ylpropoxy)phenyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)quinazolin-4-amine
CID 151539088
2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide
CID 53322163
2-[4-oxo-6-(3-piperidin-1-ylpropoxy)-2-[3-(trifluoromethoxy)phenyl]quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68521682
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511779
2-[2-(3-ethylphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525546
2-morpholin-4-ylethyl 2-(3-methoxyphenoxy)acetate;hydrochloride
CID 23620383
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of 2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide (CID 91561241) is 2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide is COc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2C(C(N)=O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is RCLSINJXMLKCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-34-20-5-2-4-19(16-20)26-29-23-9-8-21(36-13-3-10-30-11-14-35-15-12-30)17-22(23)27(33)31(26)24(25(28)32)18-6-7-18/h2,4-5,8-9,16-18,24H,3,6-7,10-15H2,1H3,(H2,28,32).
What are the key properties of 2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 492.58 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 91561241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).