2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one

C20H24ClN3O — CID 17365617

IUPAC2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one
SMILESCCN(CC)CCN1C(=O)c2ccccc2NC1c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-3-23(4-2)13-14-24-19(15-9-11-16(21)12-10-15)22-18-8-6-5-7-17(18)20(24)25/h5-12,19,22H,3-4,13-14H2,1-2H3
InChIKeyOCSQLIYKMCOZCT-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.25
Rot. Bonds6

About 2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one

2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one (PubChem CID 17365617) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one
PubChem CID17365617
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one
SMILESCCN(CC)CCN1C(=O)c2ccccc2NC1c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-3-23(4-2)13-14-24-19(15-9-11-16(21)12-10-15)22-18-8-6-5-7-17(18)20(24)25/h5-12,19,22H,3-4,13-14H2,1-2H3
InChIKeyOCSQLIYKMCOZCT-UHFFFAOYSA-N
XLogP4.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Metolazone
CID 4170
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
3-(2-Phenylethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 696887
Nsc158383
CID 292556
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
2-(3-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 3117363

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one (CID 17365617) is 2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one is CCN(CC)CCN1C(=O)c2ccccc2NC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is OCSQLIYKMCOZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-3-23(4-2)13-14-24-19(15-9-11-16(21)12-10-15)22-18-8-6-5-7-17(18)20(24)25/h5-12,19,22H,3-4,13-14H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one?
2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 357.89 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[2-(diethylamino)ethyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 17365617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).