4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one

C18H26N4O — CID 133462213

IUPAC4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one
SMILESCc1nc2c(c(N3CCCCC3C3CNC(=O)C3)n1)CCCC2
InChIInChI=1S/C18H26N4O/c1-12-20-15-7-3-2-6-14(15)18(21-12)22-9-5-4-8-16(22)13-10-17(23)19-11-13/h13,16H,2-11H2,1H3,(H,19,23)
InChIKeyQMBNNXGKXBLHBT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.16
Rot. Bonds2

About 4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one

4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one (PubChem CID 133462213) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one
PubChem CID133462213
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one
SMILESCc1nc2c(c(N3CCCCC3C3CNC(=O)C3)n1)CCCC2
InChIInChI=1S/C18H26N4O/c1-12-20-15-7-3-2-6-14(15)18(21-12)22-9-5-4-8-16(22)13-10-17(23)19-11-13/h13,16H,2-11H2,1H3,(H,19,23)
InChIKeyQMBNNXGKXBLHBT-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]acetamide
CID 133462172
4-(2,3-dimethylpyrrolidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133461624
(4R)-4-[(2R)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]pyrrolidin-2-one
CID 97250167
2-methyl-4-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline;propane
CID 143604667
2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924605
1-(cyclopentylmethyl)-4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-2-one
CID 133462020
1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylic acid
CID 102549336
4-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133472301
2-methyl-4-[3-(4-methylpiperazin-1-yl)azepan-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461921
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386
(4R)-N,N-dimethyl-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)azepan-4-amine
CID 124744132
2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133461468

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one (CID 133462213) is 4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one is Cc1nc2c(c(N3CCCCC3C3CNC(=O)C3)n1)CCCC2.
What is the InChIKey of 4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one?
The InChIKey is QMBNNXGKXBLHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12-20-15-7-3-2-6-14(15)18(21-12)22-9-5-4-8-16(22)13-10-17(23)19-11-13/h13,16H,2-11H2,1H3,(H,19,23).
What are the key properties of 4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one?
4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 133462213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).