4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide

C28H34N4O4 — CID 135923305

IUPAC4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide
SMILESCOc1cc2nc(N3CCC(Cc4ccccc4)(C(=O)NC4CCCC4)CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C28H34N4O4/c1-35-23-16-21-22(17-24(23)36-2)30-27(31-25(21)33)32-14-12-28(13-15-32,18-19-8-4-3-5-9-19)26(34)29-20-10-6-7-11-20/h3-5,8-9,16-17,20H,6-7,10-15,18H2,1-2H3,(H,29,34)(H,30,31,33)
InChIKeySHPMGBKAYOGSJY-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.83
Rot. Bonds7

About 4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide

4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide (PubChem CID 135923305) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide
PubChem CID135923305
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide
SMILESCOc1cc2nc(N3CCC(Cc4ccccc4)(C(=O)NC4CCCC4)CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C28H34N4O4/c1-35-23-16-21-22(17-24(23)36-2)30-27(31-25(21)33)32-14-12-28(13-15-32,18-19-8-4-3-5-9-19)26(34)29-20-10-6-7-11-20/h3-5,8-9,16-17,20H,6-7,10-15,18H2,1-2H3,(H,29,34)(H,30,31,33)
InChIKeySHPMGBKAYOGSJY-UHFFFAOYSA-N
XLogP3.83
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide (CID 135923305) is 4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide is COc1cc2nc(N3CCC(Cc4ccccc4)(C(=O)NC4CCCC4)CC3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide?
The InChIKey is SHPMGBKAYOGSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-35-23-16-21-22(17-24(23)36-2)30-27(31-25(21)33)32-14-12-28(13-15-32,18-19-8-4-3-5-9-19)26(34)29-20-10-6-7-11-20/h3-5,8-9,16-17,20H,6-7,10-15,18H2,1-2H3,(H,29,34)(H,30,31,33).
What are the key properties of 4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide?
4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide has a molecular weight of 490.60 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclopentyl-1-(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 135923305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).