7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one

C14H19N3O — CID 12034393

IUPAC7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(N3CCCC3)nc2C1
InChIInChI=1S/C14H19N3O/c1-14(2)7-11-10(12(18)8-14)9-15-13(16-11)17-5-3-4-6-17/h9H,3-8H2,1-2H3
InChIKeyYNXWCQUBGRMTER-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.23
Rot. Bonds1

About 7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one

7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one (PubChem CID 12034393) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one
PubChem CID12034393
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(N3CCCC3)nc2C1
InChIInChI=1S/C14H19N3O/c1-14(2)7-11-10(12(18)8-14)9-15-13(16-11)17-5-3-4-6-17/h9H,3-8H2,1-2H3
InChIKeyYNXWCQUBGRMTER-UHFFFAOYSA-N
XLogP2.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one (CID 12034393) is 7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(N3CCCC3)nc2C1.
What is the InChIKey of 7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one?
The InChIKey is YNXWCQUBGRMTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2)7-11-10(12(18)8-14)9-15-13(16-11)17-5-3-4-6-17/h9H,3-8H2,1-2H3.
What are the key properties of 7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one has a molecular weight of 245.33 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 12034393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).