N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide

C28H34N4O4 — CID 53322270

IUPACN-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide
SMILESCOc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC2CC2)c1
InChIInChI=1S/C28H34N4O4/c1-35-22-8-5-7-20(17-22)27-30-25-12-11-23(36-16-6-15-31-13-3-2-4-14-31)18-24(25)28(34)32(27)19-26(33)29-21-9-10-21/h5,7-8,11-12,17-18,21H,2-4,6,9-10,13-16,19H2,1H3,(H,29,33)
InChIKeySYAMZQQTGVDMEF-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.61
Rot. Bonds10

About N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide

N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide (PubChem CID 53322270) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide
PubChem CID53322270
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide
SMILESCOc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC2CC2)c1
InChIInChI=1S/C28H34N4O4/c1-35-22-8-5-7-20(17-22)27-30-25-12-11-23(36-16-6-15-31-13-3-2-4-14-31)18-24(25)28(34)32(27)19-26(33)29-21-9-10-21/h5,7-8,11-12,17-18,21H,2-4,6,9-10,13-16,19H2,1H3,(H,29,33)
InChIKeySYAMZQQTGVDMEF-UHFFFAOYSA-N
XLogP3.61
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.61
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 N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide (CID 53322270) is N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide is COc1cccc(-c2nc3ccc(OCCCN4CCCCC4)cc3c(=O)n2CC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide?
The InChIKey is SYAMZQQTGVDMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-35-22-8-5-7-20(17-22)27-30-25-12-11-23(36-16-6-15-31-13-3-2-4-14-31)18-24(25)28(34)32(27)19-26(33)29-21-9-10-21/h5,7-8,11-12,17-18,21H,2-4,6,9-10,13-16,19H2,1H3,(H,29,33).
What are the key properties of N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide?
N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide has a molecular weight of 490.60 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]acetamide is sourced from PubChem (CID 53322270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).