3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione

C24H18ClN3O3 — CID 23119972

IUPAC3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
SMILESO=C(c1ccc(Cl)c(-n2c(=O)[nH]c3ccccc3c2=O)c1)N1CCCc2ccccc21
InChIInChI=1S/C24H18ClN3O3/c25-18-12-11-16(22(29)27-13-5-7-15-6-1-4-10-20(15)27)14-21(18)28-23(30)17-8-2-3-9-19(17)26-24(28)31/h1-4,6,8-12,14H,5,7,13H2,(H,26,31)
InChIKeyOVNTZRBCFBEUKE-UHFFFAOYSA-N
MW431.88 g/mol
LogP3.93
Rot. Bonds2

About 3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione

3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione (PubChem CID 23119972) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is 3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
PubChem CID23119972
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC Name3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
SMILESO=C(c1ccc(Cl)c(-n2c(=O)[nH]c3ccccc3c2=O)c1)N1CCCc2ccccc21
InChIInChI=1S/C24H18ClN3O3/c25-18-12-11-16(22(29)27-13-5-7-15-6-1-4-10-20(15)27)14-21(18)28-23(30)17-8-2-3-9-19(17)26-24(28)31/h1-4,6,8-12,14H,5,7,13H2,(H,26,31)
InChIKeyOVNTZRBCFBEUKE-UHFFFAOYSA-N
XLogP3.93
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
CID 23119927
3-[2-chloro-5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)phenyl]-1H-quinazoline-2,4-dione
CID 23119878
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
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 9463883
7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 51339858
2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 51147451
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 31921305
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one
CID 78802141

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione (CID 23119972) is 3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione is O=C(c1ccc(Cl)c(-n2c(=O)[nH]c3ccccc3c2=O)c1)N1CCCc2ccccc21.
What is the InChIKey of 3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione?
The InChIKey is OVNTZRBCFBEUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c25-18-12-11-16(22(29)27-13-5-7-15-6-1-4-10-20(15)27)14-21(18)28-23(30)17-8-2-3-9-19(17)26-24(28)31/h1-4,6,8-12,14H,5,7,13H2,(H,26,31).
What are the key properties of 3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione?
3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione has a molecular weight of 431.88 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 23119972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).