6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

C32H26ClFN8O2 — CID 167066713

IUPAC6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESO=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1CC1CC1
InChIInChI=1S/C32H26ClFN8O2/c33-20-4-6-25(41-14-35-39-40-41)21(12-20)17-10-26-22-13-23(22)29(42(26)27(43)11-17)31-37-28(30(34)38-31)16-3-5-24-18(8-16)9-19(32(44)36-24)7-15-1-2-15/h3-6,8,10-12,14-15,19,22-23,29H,1-2,7,9,13H2,(H,36,44)(H,37,38)
InChIKeyBBMCQZFPZQOTPO-UHFFFAOYSA-N
MW609.07 g/mol
LogP5.29
Rot. Bonds6

About 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one

6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (PubChem CID 167066713) has the molecular formula C32H26ClFN8O2 and a molecular weight of 609.07 g/mol. Its IUPAC name is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.

Molecular Properties

Compound Name6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
PubChem CID167066713
Molecular FormulaC32H26ClFN8O2
Molecular Weight609.07 g/mol
Exact Mass608.19
IUPAC Name6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
SMILESO=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1CC1CC1
InChIInChI=1S/C32H26ClFN8O2/c33-20-4-6-25(41-14-35-39-40-41)21(12-20)17-10-26-22-13-23(22)29(42(26)27(43)11-17)31-37-28(30(34)38-31)16-3-5-24-18(8-16)9-19(32(44)36-24)7-15-1-2-15/h3-6,8,10-12,14-15,19,22-23,29H,1-2,7,9,13H2,(H,36,44)(H,37,38)
InChIKeyBBMCQZFPZQOTPO-UHFFFAOYSA-N
XLogP5.29
TPSA123.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.07
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The IUPAC name of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one (CID 167066713) is 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one.
What is the SMILES notation for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The canonical SMILES for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is O=C1Nc2ccc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)cc2CC1CC1CC1.
What is the InChIKey of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
The InChIKey is BBMCQZFPZQOTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClFN8O2/c33-20-4-6-25(41-14-35-39-40-41)21(12-20)17-10-26-22-13-23(22)29(42(26)27(43)11-17)31-37-28(30(34)38-31)16-3-5-24-18(8-16)9-19(32(44)36-24)7-15-1-2-15/h3-6,8,10-12,14-15,19,22-23,29H,1-2,7,9,13H2,(H,36,44)(H,37,38).
What are the key properties of 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one?
6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one has a molecular weight of 609.07 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[4-[3-(cyclopropylmethyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-5-fluoro-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one is sourced from PubChem (CID 167066713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).