7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one

C20H14Cl3N3O — CID 22647927

IUPAC7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one
SMILESNc1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2
InChIInChI=1S/C20H14Cl3N3O/c21-15-5-2-1-4-12(15)13-8-11(24)9-18-14(13)10-25-20(27)26(18)19-16(22)6-3-7-17(19)23/h1-9H,10,24H2,(H,25,27)
InChIKeyWIQAOFODRZQKAO-UHFFFAOYSA-N
MW418.71 g/mol
LogP6.26
Rot. Bonds2

About 7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one

7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one (PubChem CID 22647927) has the molecular formula C20H14Cl3N3O and a molecular weight of 418.71 g/mol. Its IUPAC name is 7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one
PubChem CID22647927
Molecular FormulaC20H14Cl3N3O
Molecular Weight418.71 g/mol
Exact Mass417.02
IUPAC Name7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one
SMILESNc1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2
InChIInChI=1S/C20H14Cl3N3O/c21-15-5-2-1-4-12(15)13-8-11(24)9-18-14(13)10-25-20(27)26(18)19-16(22)6-3-7-17(19)23/h1-9H,10,24H2,(H,25,27)
InChIKeyWIQAOFODRZQKAO-UHFFFAOYSA-N
XLogP6.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.71
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine
CID 727019
2-(2-chlorophenyl)-2,3-dihydro-1H-perimidine
CID 760602
1-(2,6-Dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-yl)-1,2,3,4-tetrahydroquinazolin-2-one
CID 23532567
5-(2-Chloro-4-Fluorophenyl)-1-(2,6-Dichlorophenyl)-7-[1-(1-Methylethyl)piperidin-4-Yl]-3,4-Dihydroquinazolin-2(1h)-One
CID 23532664
1-(2,6-Dichlorophenyl)-5-(2,4-Difluorophenyl)-7-Piperazin-1-Yl-3,4-Dihydroquinazolin-2(1h)-One
CID 4630909
1-(2,6-Dichlorophenyl)-5-(2,4-difluorophenyl)-7-[1-(propan-2-yl)piperidin-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 23647628
7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2(1H)-one
CID 9829283
5-(2-Chlorophenyl)-1-(2,6-dichlorophenyl)-7-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3,4-dihydroquinazolin-2-one
CID 22647955
5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one
CID 22648022
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2(1H)-one
CID 22648190
1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(piperidin-4-ylamino)-3,4-dihydroquinazolin-2(1H)-one
CID 23532568
5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-(1-ethylpiperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-one
CID 23532663

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one?
The IUPAC name of 7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one (CID 22647927) is 7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one is Nc1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2.
What is the InChIKey of 7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one?
The InChIKey is WIQAOFODRZQKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl3N3O/c21-15-5-2-1-4-12(15)13-8-11(24)9-18-14(13)10-25-20(27)26(18)19-16(22)6-3-7-17(19)23/h1-9H,10,24H2,(H,25,27).
What are the key properties of 7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one?
7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one has a molecular weight of 418.71 g/mol, XLogP of 6.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 22647927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).