6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one

C15H18N2O2 — CID 82006770

IUPAC6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(=O)C3CCCC3)ccc2NC1=O
InChIInChI=1S/C15H18N2O2/c1-17-9-12-8-11(6-7-13(12)16-15(17)19)14(18)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3,(H,16,19)
InChIKeyXIZXXZQZMFLSEV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.04
Rot. Bonds2

About 6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one

6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82006770) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82006770
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(=O)C3CCCC3)ccc2NC1=O
InChIInChI=1S/C15H18N2O2/c1-17-9-12-8-11(6-7-13(12)16-15(17)19)14(18)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3,(H,16,19)
InChIKeyXIZXXZQZMFLSEV-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one (CID 82006770) is 6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(=O)C3CCCC3)ccc2NC1=O.
What is the InChIKey of 6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is XIZXXZQZMFLSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-9-12-8-11(6-7-13(12)16-15(17)19)14(18)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3,(H,16,19).
What are the key properties of 6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one?
6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 258.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82006770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).