7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione

C20H20ClN3O2 — CID 138057447

IUPAC7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC12C(=O)N(C)c1ccc(C)cc12
InChIInChI=1S/C20H20ClN3O2/c1-4-9-24-18(25)14-7-6-13(21)11-16(14)22-20(24)15-10-12(2)5-8-17(15)23(3)19(20)26/h5-8,10-11,22H,4,9H2,1-3H3
InChIKeyYBXUAAYXOKELDT-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.76
Rot. Bonds2

About 7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione

7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (PubChem CID 138057447) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
PubChem CID138057447
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCCCN1C(=O)c2ccc(Cl)cc2NC12C(=O)N(C)c1ccc(C)cc12
InChIInChI=1S/C20H20ClN3O2/c1-4-9-24-18(25)14-7-6-13(21)11-16(14)22-20(24)15-10-12(2)5-8-17(15)23(3)19(20)26/h5-8,10-11,22H,4,9H2,1-3H3
InChIKeyYBXUAAYXOKELDT-UHFFFAOYSA-N
XLogP3.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of 7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (CID 138057447) is 7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for 7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for 7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is CCCN1C(=O)c2ccc(Cl)cc2NC12C(=O)N(C)c1ccc(C)cc12.
What is the InChIKey of 7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The InChIKey is YBXUAAYXOKELDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-4-9-24-18(25)14-7-6-13(21)11-16(14)22-20(24)15-10-12(2)5-8-17(15)23(3)19(20)26/h5-8,10-11,22H,4,9H2,1-3H3.
What are the key properties of 7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione has a molecular weight of 369.85 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 138057447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).