5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole

C30H27Cl2N3O — CID 142582453

IUPAC5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
SMILESCc1ccc2cc(N3CCC4(C=C(c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)CC3)ccc2n1
InChIInChI=1S/C30H27Cl2N3O/c1-18-5-6-20-15-22(9-10-25(20)33-18)35-13-11-30(12-14-35)16-21(17-30)26-28(34-36-29(26)19-7-8-19)27-23(31)3-2-4-24(27)32/h2-6,9-10,15-16,19H,7-8,11-14,17H2,1H3
InChIKeyVDRLCFNUDCHAND-UHFFFAOYSA-N
MW516.47 g/mol
LogP8.46
Rot. Bonds4

About 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole

5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole (PubChem CID 142582453) has the molecular formula C30H27Cl2N3O and a molecular weight of 516.47 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
PubChem CID142582453
Molecular FormulaC30H27Cl2N3O
Molecular Weight516.47 g/mol
Exact Mass515.15
IUPAC Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
SMILESCc1ccc2cc(N3CCC4(C=C(c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)CC3)ccc2n1
InChIInChI=1S/C30H27Cl2N3O/c1-18-5-6-20-15-22(9-10-25(20)33-18)35-13-11-30(12-14-35)16-21(17-30)26-28(34-36-29(26)19-7-8-19)27-23(31)3-2-4-24(27)32/h2-6,9-10,15-16,19H,7-8,11-14,17H2,1H3
InChIKeyVDRLCFNUDCHAND-UHFFFAOYSA-N
XLogP8.46
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.47
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole (CID 142582453) is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole is Cc1ccc2cc(N3CCC4(C=C(c5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C4)CC3)ccc2n1.
What is the InChIKey of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The InChIKey is VDRLCFNUDCHAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl2N3O/c1-18-5-6-20-15-22(9-10-25(20)33-18)35-13-11-30(12-14-35)16-21(17-30)26-28(34-36-29(26)19-7-8-19)27-23(31)3-2-4-24(27)32/h2-6,9-10,15-16,19H,7-8,11-14,17H2,1H3.
What are the key properties of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole has a molecular weight of 516.47 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole is sourced from PubChem (CID 142582453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).