7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione

C18H14ClN3O3 — CID 167782605

IUPAC7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O)N1CCc2ccccc21
InChIInChI=1S/C18H14ClN3O3/c19-12-5-6-13-14(9-12)20-18(25)22(17(13)24)10-16(23)21-8-7-11-3-1-2-4-15(11)21/h1-6,9H,7-8,10H2,(H,20,25)
InChIKeyNOJRWMXUIREZCN-UHFFFAOYSA-N
MW355.78 g/mol
LogP1.93
Rot. Bonds2

About 7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione

7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione (PubChem CID 167782605) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is 7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione
PubChem CID167782605
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione
SMILESO=C(Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O)N1CCc2ccccc21
InChIInChI=1S/C18H14ClN3O3/c19-12-5-6-13-14(9-12)20-18(25)22(17(13)24)10-16(23)21-8-7-11-3-1-2-4-15(11)21/h1-6,9H,7-8,10H2,(H,20,25)
InChIKeyNOJRWMXUIREZCN-UHFFFAOYSA-N
XLogP1.93
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 113209785
7-chloro-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262781
1-[(4-chlorophenyl)methyl]-4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxaline-2,3-dione
CID 46357331
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 738382
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 53334673
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619950
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
3-[2-(5-chloro-2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinolin-2-one
CID 167947111
7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 31921305
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16987816

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione (CID 167782605) is 7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione is O=C(Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O)N1CCc2ccccc21.
What is the InChIKey of 7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione?
The InChIKey is NOJRWMXUIREZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-12-5-6-13-14(9-12)20-18(25)22(17(13)24)10-16(23)21-8-7-11-3-1-2-4-15(11)21/h1-6,9H,7-8,10H2,(H,20,25).
What are the key properties of 7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione?
7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione has a molecular weight of 355.78 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 167782605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).