N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide

C28H29N3O3 — CID 42711354

IUPACN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
SMILESCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N(Cc1ccco1)C(=O)C1CCCC1
InChIInChI=1S/C28H29N3O3/c1-20(30(19-23-14-9-17-34-23)27(32)22-12-5-6-13-22)26-29-25-16-8-7-15-24(25)28(33)31(26)18-21-10-3-2-4-11-21/h2-4,7-11,14-17,20,22H,5-6,12-13,18-19H2,1H3
InChIKeyGFRQZJUBDMFIHA-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.32
Rot. Bonds7

About N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide

N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide (PubChem CID 42711354) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
PubChem CID42711354
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide
SMILESCC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N(Cc1ccco1)C(=O)C1CCCC1
InChIInChI=1S/C28H29N3O3/c1-20(30(19-23-14-9-17-34-23)27(32)22-12-5-6-13-22)26-29-25-16-8-7-15-24(25)28(33)31(26)18-21-10-3-2-4-11-21/h2-4,7-11,14-17,20,22H,5-6,12-13,18-19H2,1H3
InChIKeyGFRQZJUBDMFIHA-UHFFFAOYSA-N
XLogP5.32
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 42721674
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 42721668
N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)cyclopentanecarboxamide
CID 42713487
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-propylfuran-2-carboxamide
CID 42711380
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42711727
N-benzyl-N-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]cyclopentanecarboxamide
CID 42723693
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 42729093
3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 4641269
3-cyclopentyl-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)propanamide
CID 4665911
N-[1-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)cyclopentanecarboxamide
CID 42719916
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-propylcyclopentanecarboxamide
CID 42721825
4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42713352

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide (CID 42711354) is N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide is CC(c1nc2ccccc2c(=O)n1Cc1ccccc1)N(Cc1ccco1)C(=O)C1CCCC1.
What is the InChIKey of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide?
The InChIKey is GFRQZJUBDMFIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-20(30(19-23-14-9-17-34-23)27(32)22-12-5-6-13-22)26-29-25-16-8-7-15-24(25)28(33)31(26)18-21-10-3-2-4-11-21/h2-4,7-11,14-17,20,22H,5-6,12-13,18-19H2,1H3.
What are the key properties of N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide?
N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide has a molecular weight of 455.56 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(furan-2-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 42711354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).