N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide

C15H21N3O2 — CID 53014418

IUPACN-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(c1=O)CCCC2)NC1CCCC1
InChIInChI=1S/C15H21N3O2/c19-14(17-11-5-1-2-6-11)9-18-10-16-13-8-4-3-7-12(13)15(18)20/h10-11H,1-9H2,(H,17,19)
InChIKeyLAXDGURCSRRCNY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.18
Rot. Bonds3

About N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide

N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide (PubChem CID 53014418) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide
PubChem CID53014418
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(c1=O)CCCC2)NC1CCCC1
InChIInChI=1S/C15H21N3O2/c19-14(17-11-5-1-2-6-11)9-18-10-16-13-8-4-3-7-12(13)15(18)20/h10-11H,1-9H2,(H,17,19)
InChIKeyLAXDGURCSRRCNY-UHFFFAOYSA-N
XLogP1.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~1~-cyclohexyl-2-[4-oxo-5,6,7,8-tetrahydro-3(4H)-quinazolinyl]acetamide
CID 53014419
N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
CID 135719646
6-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 163692097
3,5,12-Triazatricyclo[7.2.1.02,7]dodeca-2(7),3-dien-6-one
CID 168230260
3-[2-(Methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 54589595
3-[2-(Ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 54589596
3-[2-(Propylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 54589597
3-Piperidin-4-yl-5,6,7,8-tetrahydroquinazolin-4-one
CID 82105222
3-(3-Aminopropyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 82105229
3-Pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one
CID 82105277
2-Methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one
CID 82105278
3-(2-piperidin-2-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82105331

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide (CID 53014418) is N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide is O=C(Cn1cnc2c(c1=O)CCCC2)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide?
The InChIKey is LAXDGURCSRRCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-14(17-11-5-1-2-6-11)9-18-10-16-13-8-4-3-7-12(13)15(18)20/h10-11H,1-9H2,(H,17,19).
What are the key properties of N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide?
N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)acetamide is sourced from PubChem (CID 53014418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).