2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one

C13H19N3O — CID 82105278

IUPAC2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1nc2c(c(=O)n1C1CCNC1)CCCC2
InChIInChI=1S/C13H19N3O/c1-9-15-12-5-3-2-4-11(12)13(17)16(9)10-6-7-14-8-10/h10,14H,2-8H2,1H3
InChIKeyZYEPHGIMFACDNB-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.96
Rot. Bonds1

About 2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one

2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 82105278) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID82105278
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCc1nc2c(c(=O)n1C1CCNC1)CCCC2
InChIInChI=1S/C13H19N3O/c1-9-15-12-5-3-2-4-11(12)13(17)16(9)10-6-7-14-8-10/h10,14H,2-8H2,1H3
InChIKeyZYEPHGIMFACDNB-UHFFFAOYSA-N
XLogP0.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one (CID 82105278) is 2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one is Cc1nc2c(c(=O)n1C1CCNC1)CCCC2.
What is the InChIKey of 2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is ZYEPHGIMFACDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-15-12-5-3-2-4-11(12)13(17)16(9)10-6-7-14-8-10/h10,14H,2-8H2,1H3.
What are the key properties of 2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one?
2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 233.31 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 82105278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).