3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one

C18H24N4O — CID 166239525

IUPAC3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one
SMILESCN(C)c1cc(Cn2cnc3c(c2=O)CC(C)(C)CC3)ccn1
InChIInChI=1S/C18H24N4O/c1-18(2)7-5-15-14(10-18)17(23)22(12-20-15)11-13-6-8-19-16(9-13)21(3)4/h6,8-9,12H,5,7,10-11H2,1-4H3
InChIKeyAISGHXBAMFFDGL-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.27
Rot. Bonds3

About 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one

3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one (PubChem CID 166239525) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one
PubChem CID166239525
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one
SMILESCN(C)c1cc(Cn2cnc3c(c2=O)CC(C)(C)CC3)ccn1
InChIInChI=1S/C18H24N4O/c1-18(2)7-5-15-14(10-18)17(23)22(12-20-15)11-13-6-8-19-16(9-13)21(3)4/h6,8-9,12H,5,7,10-11H2,1-4H3
InChIKeyAISGHXBAMFFDGL-UHFFFAOYSA-N
XLogP2.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one?
The IUPAC name of 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one (CID 166239525) is 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one.
What is the SMILES notation for 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one?
The canonical SMILES for 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one is CN(C)c1cc(Cn2cnc3c(c2=O)CC(C)(C)CC3)ccn1.
What is the InChIKey of 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one?
The InChIKey is AISGHXBAMFFDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2)7-5-15-14(10-18)17(23)22(12-20-15)11-13-6-8-19-16(9-13)21(3)4/h6,8-9,12H,5,7,10-11H2,1-4H3.
What are the key properties of 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one?
3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one has a molecular weight of 312.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-4-pyridinyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazolin-4-one is sourced from PubChem (CID 166239525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).