1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide

C16H22N4O2 — CID 17190302

IUPAC1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C16H22N4O2/c1-9-7-12-14(13(21)8-9)10(2)18-16(19-12)20-5-3-11(4-6-20)15(17)22/h9,11H,3-8H2,1-2H3,(H2,17,22)
InChIKeyHLWDXOIPLALDBB-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.25
Rot. Bonds2

About 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide

1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide (PubChem CID 17190302) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide
PubChem CID17190302
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C16H22N4O2/c1-9-7-12-14(13(21)8-9)10(2)18-16(19-12)20-5-3-11(4-6-20)15(17)22/h9,11H,3-8H2,1-2H3,(H2,17,22)
InChIKeyHLWDXOIPLALDBB-UHFFFAOYSA-N
XLogP1.25
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

2-Amino-7,7-dimethyl-4-propyl-7,8-dihydroquinazolin-5(6H)-one
CID 2834688
Ethyl 4-(4,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate
CID 665873
2-(4-ethylpiperazin-1-yl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 1831288
2-Amino-4-ethyl-7,7-dimethyl-6,7,8-trihydroquinazolin-5-one
CID 2851058
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-4-yl)-3-methylbutanamide
CID 658911
ethyl 4-(4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate
CID 667257
2-(4-ethylpiperazin-1-yl)-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 3161777
2-amino-4-butyl-7,7-dimethyl-7,8-dihydro-5(6H)-quinazolinone
CID 23933548
7-Methyl-2-piperidyl-6,7,8-trihydroquinazolin-5-one
CID 2984723
2-(3,5-dimethylpiperidin-1-yl)-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4305340
4-((2-Amino-8-methyl-5,6,7,8-tetrahydro-4-quinazolinyl)methyl)-2,6-piperidinedione
CID 278295
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-ethylbutanamide
CID 3161012

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide (CID 17190302) is 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide is Cc1nc(N2CCC(C(N)=O)CC2)nc2c1C(=O)CC(C)C2.
What is the InChIKey of 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide?
The InChIKey is HLWDXOIPLALDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-9-7-12-14(13(21)8-9)10(2)18-16(19-12)20-5-3-11(4-6-20)15(17)22/h9,11H,3-8H2,1-2H3,(H2,17,22).
What are the key properties of 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide?
1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17190302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).