3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione

C24H17Cl2N3O3 — CID 23119927

IUPAC3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
SMILESO=C(c1cc(Cl)c(-n2c(=O)[nH]c3ccccc3c2=O)c(Cl)c1)N1CCCc2ccccc21
InChIInChI=1S/C24H17Cl2N3O3/c25-17-12-15(22(30)28-11-5-7-14-6-1-4-10-20(14)28)13-18(26)21(17)29-23(31)16-8-2-3-9-19(16)27-24(29)32/h1-4,6,8-10,12-13H,5,7,11H2,(H,27,32)
InChIKeyZHNBTOAFASPSHP-UHFFFAOYSA-N
MW466.32 g/mol
LogP4.58
Rot. Bonds2

About 3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione

3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione (PubChem CID 23119927) has the molecular formula C24H17Cl2N3O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
PubChem CID23119927
Molecular FormulaC24H17Cl2N3O3
Molecular Weight466.32 g/mol
Exact Mass465.06
IUPAC Name3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
SMILESO=C(c1cc(Cl)c(-n2c(=O)[nH]c3ccccc3c2=O)c(Cl)c1)N1CCCc2ccccc21
InChIInChI=1S/C24H17Cl2N3O3/c25-17-12-15(22(30)28-11-5-7-14-6-1-4-10-20(14)28)13-18(26)21(17)29-23(31)16-8-2-3-9-19(16)27-24(29)32/h1-4,6,8-10,12-13H,5,7,11H2,(H,27,32)
InChIKeyZHNBTOAFASPSHP-UHFFFAOYSA-N
XLogP4.58
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
CID 23119972
3-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-1H-quinazoline-2,4-dione
CID 23120212
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one
CID 78802141
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 9463883
(2,4-dichloro-6-hydroxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 155527744
7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 51339858
3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-2-yl]-1H-quinazoline-2,4-dione
CID 23120443
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]-1H-quinazoline-2,4-dione
CID 23119873
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
CID 103891274

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione (CID 23119927) is 3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione is O=C(c1cc(Cl)c(-n2c(=O)[nH]c3ccccc3c2=O)c(Cl)c1)N1CCCc2ccccc21.
What is the InChIKey of 3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione?
The InChIKey is ZHNBTOAFASPSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O3/c25-17-12-15(22(30)28-11-5-7-14-6-1-4-10-20(14)28)13-18(26)21(17)29-23(31)16-8-2-3-9-19(16)27-24(29)32/h1-4,6,8-10,12-13H,5,7,11H2,(H,27,32).
What are the key properties of 3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione?
3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione has a molecular weight of 466.32 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 23119927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).