5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole

C30H25Cl2N7O — CID 155100462

IUPAC5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole
SMILESClc1cccc(Cl)c1-c1noc(C2CC2)c1/C=C/C12CCN(c3ccc4nc(-c5nn[nH]n5)ccc4c3)CC1C2
InChIInChI=1S/C30H25Cl2N7O/c31-22-2-1-3-23(32)26(22)27-21(28(40-36-27)17-4-5-17)10-11-30-12-13-39(16-19(30)15-30)20-7-9-24-18(14-20)6-8-25(33-24)29-34-37-38-35-29/h1-3,6-11,14,17,19H,4-5,12-13,15-16H2,(H,34,35,37,38)/b11-10+
InChIKeyBLKGLOIKYXBOMF-ZHACJKMWSA-N
MW570.48 g/mol
LogP7.18
Rot. Bonds6

About 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole

5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole (PubChem CID 155100462) has the molecular formula C30H25Cl2N7O and a molecular weight of 570.48 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole
PubChem CID155100462
Molecular FormulaC30H25Cl2N7O
Molecular Weight570.48 g/mol
Exact Mass569.15
IUPAC Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole
SMILESClc1cccc(Cl)c1-c1noc(C2CC2)c1/C=C/C12CCN(c3ccc4nc(-c5nn[nH]n5)ccc4c3)CC1C2
InChIInChI=1S/C30H25Cl2N7O/c31-22-2-1-3-23(32)26(22)27-21(28(40-36-27)17-4-5-17)10-11-30-12-13-39(16-19(30)15-30)20-7-9-24-18(14-20)6-8-25(33-24)29-34-37-38-35-29/h1-3,6-11,14,17,19H,4-5,12-13,15-16H2,(H,34,35,37,38)/b11-10+
InChIKeyBLKGLOIKYXBOMF-ZHACJKMWSA-N
XLogP7.18
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.48
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole (CID 155100462) is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole is Clc1cccc(Cl)c1-c1noc(C2CC2)c1/C=C/C12CCN(c3ccc4nc(-c5nn[nH]n5)ccc4c3)CC1C2.
What is the InChIKey of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole?
The InChIKey is BLKGLOIKYXBOMF-ZHACJKMWSA-N. The full InChI is InChI=1S/C30H25Cl2N7O/c31-22-2-1-3-23(32)26(22)27-21(28(40-36-27)17-4-5-17)10-11-30-12-13-39(16-19(30)15-30)20-7-9-24-18(14-20)6-8-25(33-24)29-34-37-38-35-29/h1-3,6-11,14,17,19H,4-5,12-13,15-16H2,(H,34,35,37,38)/b11-10+.
What are the key properties of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole?
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole has a molecular weight of 570.48 g/mol, XLogP of 7.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[(E)-2-[3-[2-(2H-tetrazol-5-yl)quinolin-6-yl]-3-azabicyclo[4.1.0]heptan-6-yl]ethenyl]-1,2-oxazole is sourced from PubChem (CID 155100462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).