3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol

C60H56N6O3 — CID 162117213

IUPAC3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol
SMILESCN(C)CCC(O)(c1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1)c1ccco1.CN(C)CCC(O)(c1ccccc1)c1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C31H29N3O.C29H27N3O2/c1-34(2)19-17-31(35,25-13-7-4-8-14-25)26-15-16-29-28(20-26)27(23-10-5-3-6-11-23)21-30(33-29)24-12-9-18-32-22-24;1-32(2)16-14-29(33,28-11-7-17-34-28)23-12-13-26-25(18-23)24(21-8-4-3-5-9-21)19-27(31-26)22-10-6-15-30-20-22/h3-16,18,20-22,35H,17,19H2,1-2H3;3-13,15,17-20,33H,14,16H2,1-2H3
InChIKeyZGXRWQAQLCFLGJ-UHFFFAOYSA-N
MW909.15 g/mol
LogP11.90
Rot. Bonds14

About 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol

3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol (PubChem CID 162117213) has the molecular formula C60H56N6O3 and a molecular weight of 909.15 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol
PubChem CID162117213
Molecular FormulaC60H56N6O3
Molecular Weight909.15 g/mol
Exact Mass908.44
IUPAC Name3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol
SMILESCN(C)CCC(O)(c1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1)c1ccco1.CN(C)CCC(O)(c1ccccc1)c1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1
InChIInChI=1S/C31H29N3O.C29H27N3O2/c1-34(2)19-17-31(35,25-13-7-4-8-14-25)26-15-16-29-28(20-26)27(23-10-5-3-6-11-23)21-30(33-29)24-12-9-18-32-22-24;1-32(2)16-14-29(33,28-11-7-17-34-28)23-12-13-26-25(18-23)24(21-8-4-3-5-9-21)19-27(31-26)22-10-6-15-30-20-22/h3-16,18,20-22,35H,17,19H2,1-2H3;3-13,15,17-20,33H,14,16H2,1-2H3
InChIKeyZGXRWQAQLCFLGJ-UHFFFAOYSA-N
XLogP11.90
TPSA111.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.15
LogP ≤ 511.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol with MolForge

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Related Compounds

2-(3,5-Difluoro-2-methylphenyl)-1-methylpyridin-1-ium;1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-phenylpyridin-1-ium;[4-methyl-5-(1-methylquinolin-1-ium-2-yl)furan-2-yl]methanol;[4-methyl-3-[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]phenyl]methyl formate
CID 158058096
3-Quinolineethanol, alpha-[2-(dimethylamino)ethyl]-6-[5-(hydroxymethyl)-2-furanyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-
CID 49767219
(2R,3S)-2-(furan-2-yl)-3-isoquinolin-1-ylbutan-2-ol
CID 135002839
2-[1-[(6-Fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol
CID 112270139
2-[1-[(5-Fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]-1-(furan-2-yl)ethanol
CID 112270211
[(1S,3E)-1-[5-(hydroxymethyl)furan-2-yl]-5-(methoxymethyl)-4-quinolin-3-ylhexa-3,5-dienyl] pyridine-4-carboxylate
CID 23777699
[(1R,3E)-1-[5-(hydroxymethyl)furan-2-yl]-5-(methoxymethyl)-4-quinolin-3-ylhexa-3,5-dienyl] pyridine-4-carboxylate
CID 23863262
1-[5-[Hydroxy(quinolin-3-yl)methyl]furan-2-yl]hex-5-en-1-ol
CID 24204575
6-(Dimethylamino)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1,2-diphenylhexan-2-ol
CID 15947586
3-(Dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol
CID 58281422
3-(Dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-3-methylquinolin-6-yl)propan-1-ol
CID 58442708
3-(Dimethylamino)-1-(furan-2-yl)-1-(2-methoxy-4-phenylquinolin-6-yl)propan-1-ol
CID 58857473

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol (CID 162117213) is 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol is CN(C)CCC(O)(c1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1)c1ccco1.CN(C)CCC(O)(c1ccccc1)c1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1.
What is the InChIKey of 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol?
The InChIKey is ZGXRWQAQLCFLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O.C29H27N3O2/c1-34(2)19-17-31(35,25-13-7-4-8-14-25)26-15-16-29-28(20-26)27(23-10-5-3-6-11-23)21-30(33-29)24-12-9-18-32-22-24;1-32(2)16-14-29(33,28-11-7-17-34-28)23-12-13-26-25(18-23)24(21-8-4-3-5-9-21)19-27(31-26)22-10-6-15-30-20-22/h3-16,18,20-22,35H,17,19H2,1-2H3;3-13,15,17-20,33H,14,16H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol?
3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol has a molecular weight of 909.15 g/mol, XLogP of 11.90, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol;3-(dimethylamino)-1-phenyl-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol is sourced from PubChem (CID 162117213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).