5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole

C33H32Cl2FN3O2 — CID 157214847

IUPAC5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
SMILESCc1cc(OC(C)C)c2cc(N3CCC4(C=C(c5c(-c6c(Cl)cc(F)cc6Cl)noc5C5CC5)C4)CC3)ccc2n1
InChIInChI=1S/C33H32Cl2FN3O2/c1-18(2)40-28-12-19(3)37-27-7-6-23(15-24(27)28)39-10-8-33(9-11-39)16-21(17-33)29-31(38-41-32(29)20-4-5-20)30-25(34)13-22(36)14-26(30)35/h6-7,12-16,18,20H,4-5,8-11,17H2,1-3H3
InChIKeyGQMXKTAVQRPZIW-UHFFFAOYSA-N
MW592.54 g/mol
LogP9.38
Rot. Bonds6

About 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole

5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole (PubChem CID 157214847) has the molecular formula C33H32Cl2FN3O2 and a molecular weight of 592.54 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
PubChem CID157214847
Molecular FormulaC33H32Cl2FN3O2
Molecular Weight592.54 g/mol
Exact Mass591.19
IUPAC Name5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
SMILESCc1cc(OC(C)C)c2cc(N3CCC4(C=C(c5c(-c6c(Cl)cc(F)cc6Cl)noc5C5CC5)C4)CC3)ccc2n1
InChIInChI=1S/C33H32Cl2FN3O2/c1-18(2)40-28-12-19(3)37-27-7-6-23(15-24(27)28)39-10-8-33(9-11-39)16-21(17-33)29-31(38-41-32(29)20-4-5-20)30-25(34)13-22(36)14-26(30)35/h6-7,12-16,18,20H,4-5,8-11,17H2,1-3H3
InChIKeyGQMXKTAVQRPZIW-UHFFFAOYSA-N
XLogP9.38
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.54
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole with MolForge

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Related Compounds

5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[7-(4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175830128
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 142582553
5-cyclopropyl-3-(4-fluoro-2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 167172454
5-cyclopropyl-3-(3,5-dimethyl-1,2-dihydropyridin-4-yl)-4-[7-(2,4-dimethylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 167172480
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(3-methylisoquinolin-7-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane
CID 142582484
3-(3-chloro-2-pyridinyl)-5-cyclopropyl-4-[7-(4-methoxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175829992
5-cyclopropyl-3-(2,6-dimethylphenyl)-4-[7-(2-methylquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole;ethane
CID 142582438
5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-4-(7-quinolin-6-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830003
4-(7-cinnolin-7-yl-7-azaspiro[3.5]non-2-en-2-yl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazole
CID 175830066
6-[2-[5-cyclopropyl-3-(2-methylphenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-ethoxyquinoline-2-carboxylic acid
CID 142582447
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[7-(4-methylpyrimidin-2-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole
CID 175829979
6-[2-[5-cyclopropyl-3-[2-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]-4-methoxyquinoline-2-carboxylic acid
CID 138591908

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole (CID 157214847) is 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-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-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole is Cc1cc(OC(C)C)c2cc(N3CCC4(C=C(c5c(-c6c(Cl)cc(F)cc6Cl)noc5C5CC5)C4)CC3)ccc2n1.
What is the InChIKey of 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
The InChIKey is GQMXKTAVQRPZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32Cl2FN3O2/c1-18(2)40-28-12-19(3)37-27-7-6-23(15-24(27)28)39-10-8-33(9-11-39)16-21(17-33)29-31(38-41-32(29)20-4-5-20)30-25(34)13-22(36)14-26(30)35/h6-7,12-16,18,20H,4-5,8-11,17H2,1-3H3.
What are the key properties of 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole?
5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole has a molecular weight of 592.54 g/mol, XLogP of 9.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,6-dichloro-4-fluorophenyl)-4-[7-(2-methyl-4-propan-2-yloxyquinolin-6-yl)-7-azaspiro[3.5]non-2-en-2-yl]-1,2-oxazole is sourced from PubChem (CID 157214847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).