N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide

C16H21N3O2 — CID 743130

IUPACN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide
SMILESCC1(C)CC(=O)c2cnc(NC(=O)C3CCCC3)nc2C1
InChIInChI=1S/C16H21N3O2/c1-16(2)7-12-11(13(20)8-16)9-17-15(18-12)19-14(21)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,17,18,19,21)
InChIKeyIKMDHMMEVQTHIR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.76
Rot. Bonds2

About N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide

N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide (PubChem CID 743130) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide
PubChem CID743130
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide
SMILESCC1(C)CC(=O)c2cnc(NC(=O)C3CCCC3)nc2C1
InChIInChI=1S/C16H21N3O2/c1-16(2)7-12-11(13(20)8-16)9-17-15(18-12)19-14(21)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,17,18,19,21)
InChIKeyIKMDHMMEVQTHIR-UHFFFAOYSA-N
XLogP2.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide (CID 743130) is N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide is CC1(C)CC(=O)c2cnc(NC(=O)C3CCCC3)nc2C1.
What is the InChIKey of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide?
The InChIKey is IKMDHMMEVQTHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2)7-12-11(13(20)8-16)9-17-15(18-12)19-14(21)10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,17,18,19,21).
What are the key properties of N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide?
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 743130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).