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

C27H32N4O5 — CID 53322990

IUPACN-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
SMILESCOc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NC2CC2)c1
InChIInChI=1S/C27H32N4O5/c1-34-21-5-2-4-19(16-21)26-29-24-9-8-22(36-13-3-10-30-11-14-35-15-12-30)17-23(24)27(33)31(26)18-25(32)28-20-6-7-20/h2,4-5,8-9,16-17,20H,3,6-7,10-15,18H2,1H3,(H,28,32)
InChIKeyQOHMSPNBUSKWFR-UHFFFAOYSA-N
MW492.58 g/mol
LogP2.45
Rot. Bonds10

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

N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide (PubChem CID 53322990) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
PubChem CID53322990
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC NameN-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
SMILESCOc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NC2CC2)c1
InChIInChI=1S/C27H32N4O5/c1-34-21-5-2-4-19(16-21)26-29-24-9-8-22(36-13-3-10-30-11-14-35-15-12-30)17-23(24)27(33)31(26)18-25(32)28-20-6-7-20/h2,4-5,8-9,16-17,20H,3,6-7,10-15,18H2,1H3,(H,28,32)
InChIKeyQOHMSPNBUSKWFR-UHFFFAOYSA-N
XLogP2.45
TPSA94.92 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 ≤ 52.45
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

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-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
CID 91561241
2-[2-(4-chlorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide
CID 53322163
2-[2-(3-methoxyphenyl)-4-oxo-7-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522971
2-[4-oxo-6-(3-piperidin-1-ylpropoxy)-2-[3-(trifluoromethoxy)phenyl]quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68521682
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-[2-(3-chlorophenyl)-6-[3-(2-methylpyrrolidin-1-yl)propoxy]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68688604
[(2R)-3-[2-(3-methoxyphenyl)-4-oxo-3-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-6-yl]oxy-2-methylpropyl] methanesulfonate
CID 59511753
2-[6-[(2S)-3-(diethylamino)-2-methylpropoxy]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511766
2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522664

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide (CID 53322990) is N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide is COc1cccc(-c2nc3ccc(OCCCN4CCOCC4)cc3c(=O)n2CC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is QOHMSPNBUSKWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-34-21-5-2-4-19(16-21)26-29-24-9-8-22(36-13-3-10-30-11-14-35-15-12-30)17-23(24)27(33)31(26)18-25(32)28-20-6-7-20/h2,4-5,8-9,16-17,20H,3,6-7,10-15,18H2,1H3,(H,28,32).
What are the key properties of N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide?
N-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 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 53322990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).