2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one

C22H16ClN3O — CID 137185607

IUPAC2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
SMILESCc1ccc(C2Nc3ccc(Cl)cc3-c3nc4ccccc4c(=O)n32)cc1
InChIInChI=1S/C22H16ClN3O/c1-13-6-8-14(9-7-13)20-24-19-11-10-15(23)12-17(19)21-25-18-5-3-2-4-16(18)22(27)26(20)21/h2-12,20,24H,1H3
InChIKeyWMENTNJZBSCPGE-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.00
Rot. Bonds1

About 2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one

2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one (PubChem CID 137185607) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one.

Molecular Properties

Compound Name2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
PubChem CID137185607
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
SMILESCc1ccc(C2Nc3ccc(Cl)cc3-c3nc4ccccc4c(=O)n32)cc1
InChIInChI=1S/C22H16ClN3O/c1-13-6-8-14(9-7-13)20-24-19-11-10-15(23)12-17(19)21-25-18-5-3-2-4-16(18)22(27)26(20)21/h2-12,20,24H,1H3
InChIKeyWMENTNJZBSCPGE-UHFFFAOYSA-N
XLogP5.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione
CID 71497850
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione
CID 71497852
6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
CID 135453196
N-(6-chloro-4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)-4-methylbenzamide
CID 18886863
(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 1035984
2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one
CID 2298240
2-(2,4-dichlorophenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 1366169
6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
CID 4538652
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
2-[4-chloro-2-(4-methylphenyl)phenyl]-4-(4-methylphenyl)quinazoline
CID 132599151
2-chloro-3-piperidin-4-ylquinazolin-4-one
CID 117263485
N-[6-chloro-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18886967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one?
The IUPAC name of 2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one (CID 137185607) is 2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one.
What is the SMILES notation for 2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one?
The canonical SMILES for 2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one is Cc1ccc(C2Nc3ccc(Cl)cc3-c3nc4ccccc4c(=O)n32)cc1.
What is the InChIKey of 2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one?
The InChIKey is WMENTNJZBSCPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c1-13-6-8-14(9-7-13)20-24-19-11-10-15(23)12-17(19)21-25-18-5-3-2-4-16(18)22(27)26(20)21/h2-12,20,24H,1H3.
What are the key properties of 2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one?
2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one has a molecular weight of 373.84 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one is sourced from PubChem (CID 137185607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).