[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol

C33H27ClN2O3 — CID 118031226

IUPAC[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol
SMILESCC(C)(C)c1c(-c2ccco2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1-c1ccco1
InChIInChI=1S/C33H27ClN2O3/c1-32(2,3)30-29(27-11-6-16-38-27)25-19-22(13-14-26(25)36-31(30)28-12-7-17-39-28)33(37,23-9-5-15-35-20-23)21-8-4-10-24(34)18-21/h4-20,37H,1-3H3
InChIKeyQHGBAHASEBRZFX-UHFFFAOYSA-N
MW535.04 g/mol
LogP8.38
Rot. Bonds5

About [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol

[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol (PubChem CID 118031226) has the molecular formula C33H27ClN2O3 and a molecular weight of 535.04 g/mol. Its IUPAC name is [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol
PubChem CID118031226
Molecular FormulaC33H27ClN2O3
Molecular Weight535.04 g/mol
Exact Mass534.17
IUPAC Name[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol
SMILESCC(C)(C)c1c(-c2ccco2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1-c1ccco1
InChIInChI=1S/C33H27ClN2O3/c1-32(2,3)30-29(27-11-6-16-38-27)25-19-22(13-14-26(25)36-31(30)28-12-7-17-39-28)33(37,23-9-5-15-35-20-23)21-8-4-10-24(34)18-21/h4-20,37H,1-3H3
InChIKeyQHGBAHASEBRZFX-UHFFFAOYSA-N
XLogP8.38
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.04
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol with MolForge

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Related Compounds

(3R*,4R*)-1-{[8-chloro-2-(2-furyl)quinolin-4-yl]carbonyl}-3,4-dimethylpyrrolidin-3-ol
CID 70770211
11-[(2-Chloroquinolin-3-yl)methyl]-8-fluoro-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16,18-octaen-13-one
CID 25216516
11-[(4-Chloroquinolin-3-yl)methyl]-8-fluoro-4,14-dioxa-11,16-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16,18-octaen-13-one
CID 58240723
Ethyl 6-[(2-chloro-7-phenylmethoxyquinolin-3-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate
CID 58371527
6-[(5-Chloro-2-methoxy-4-pyridinyl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
CID 58371565
6-[(6-Chloroquinolin-7-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-1,3-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
CID 58371618
Ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate
CID 58371658
Ethyl 6-[(2-chloroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate
CID 59283485
Ethyl 6-[(2-chloro-6-fluoroquinolin-4-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)-7,8-dihydrofuro[2,3-e]indole-7-carboxylate
CID 88914175
6-[(2-Chloroquinolin-4-yl)methyl]-4-fluoro-8-(6-oxocyclohexa-2,4-dien-1-yl)furo[2,3-e]indole-7-carboxylic acid
CID 91598483
Ethyl 6-[(2-chloro-7-hydroxyquinolin-3-yl)methyl]-4-fluoro-8-(2-methoxy-3-pyridinyl)furo[2,3-e]indole-7-carboxylate
CID 136135401
4-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(8-hydroxyquinolin-6-yl)pentan-1-one
CID 148256932

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol?
The IUPAC name of [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol (CID 118031226) is [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol?
The canonical SMILES for [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol is CC(C)(C)c1c(-c2ccco2)nc2ccc(C(O)(c3cccnc3)c3cccc(Cl)c3)cc2c1-c1ccco1.
What is the InChIKey of [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol?
The InChIKey is QHGBAHASEBRZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27ClN2O3/c1-32(2,3)30-29(27-11-6-16-38-27)25-19-22(13-14-26(25)36-31(30)28-12-7-17-39-28)33(37,23-9-5-15-35-20-23)21-8-4-10-24(34)18-21/h4-20,37H,1-3H3.
What are the key properties of [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol?
[3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol has a molecular weight of 535.04 g/mol, XLogP of 8.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-tert-butyl-2,4-bis(furan-2-yl)quinolin-6-yl]-(3-chlorophenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 118031226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).