2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C16H25N3O — CID 62009664

IUPAC2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCN(CC)CCc1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C16H25N3O/c1-5-19(6-2)8-7-15-17-11-12-13(18-15)9-16(3,4)10-14(12)20/h11H,5-10H2,1-4H3
InChIKeySDXXXJIVIMHOSF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.52
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 62009664) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID62009664
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCCN(CC)CCc1ncc2c(n1)CC(C)(C)CC2=O
InChIInChI=1S/C16H25N3O/c1-5-19(6-2)8-7-15-17-11-12-13(18-15)9-16(3,4)10-14(12)20/h11H,5-10H2,1-4H3
InChIKeySDXXXJIVIMHOSF-UHFFFAOYSA-N
XLogP2.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 62009664) is 2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CCN(CC)CCc1ncc2c(n1)CC(C)(C)CC2=O.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is SDXXXJIVIMHOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-19(6-2)8-7-15-17-11-12-13(18-15)9-16(3,4)10-14(12)20/h11H,5-10H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 275.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 62009664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).