6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline

C31H30F3N3O — CID 134180094

IUPAC6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
SMILESCC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cncc(F)c4OC4CCCC4)cc23)CC1
InChIInChI=1S/C31H30F3N3O/c1-19-8-10-37(11-9-19)30-25-14-20(27-16-35-18-28(34)31(27)38-24-4-2-3-5-24)6-7-29(25)36-17-26(30)21-12-22(32)15-23(33)13-21/h6-7,12-19,24H,2-5,8-11H2,1H3
InChIKeyQUCMKPFMUJQJRW-UHFFFAOYSA-N
MW517.60 g/mol
LogP7.94
Rot. Bonds5

About 6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline

6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline (PubChem CID 134180094) has the molecular formula C31H30F3N3O and a molecular weight of 517.60 g/mol. Its IUPAC name is 6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
PubChem CID134180094
Molecular FormulaC31H30F3N3O
Molecular Weight517.60 g/mol
Exact Mass517.23
IUPAC Name6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
SMILESCC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cncc(F)c4OC4CCCC4)cc23)CC1
InChIInChI=1S/C31H30F3N3O/c1-19-8-10-37(11-9-19)30-25-14-20(27-16-35-18-28(34)31(27)38-24-4-2-3-5-24)6-7-29(25)36-17-26(30)21-12-22(32)15-23(33)13-21/h6-7,12-19,24H,2-5,8-11H2,1H3
InChIKeyQUCMKPFMUJQJRW-UHFFFAOYSA-N
XLogP7.94
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.60
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline with MolForge

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Launch Full Analysis

Related Compounds

(NE)-N-[[3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-5-fluoro-4-pyridinyl]methylidene]hydroxylamine
CID 146676574
methyl N-[2-cyano-6-[3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinolin-6-yl]phenyl]carbamate
CID 134180097
methyl N-[3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-5-cyano-4-pyridinyl]carbamate
CID 140837203
2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]benzonitrile
CID 171344151
tert-butyl N-[1-[6-[3,5-difluoro-2-(methoxycarbonylamino)phenyl]-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]carbamate
CID 140837176
methyl N-[5-[4-(4-aminopiperidin-1-yl)-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4-chloro-3-pyridinyl]carbamate
CID 155295544
N-[[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-6-fluorophenyl]methylidene]hydroxylamine
CID 140837106
5-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-6-(azetidin-1-yl)pyridine-3-carboxamide
CID 140837210
methyl N-[2-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-6-cyanophenyl]carbamate
CID 134168308
2-[[1-[6-(2-amino-3-pyridinyl)-3-(3,5-difluorophenyl)quinolin-4-yl]piperidin-4-yl]amino]ethanol
CID 145443375
3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-(cyanomethoxy)benzonitrile
CID 140837011
2-acetyl-3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]benzonitrile
CID 134180099

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline?
The IUPAC name of 6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline (CID 134180094) is 6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline.
What is the SMILES notation for 6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline?
The canonical SMILES for 6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline is CC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cncc(F)c4OC4CCCC4)cc23)CC1.
What is the InChIKey of 6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline?
The InChIKey is QUCMKPFMUJQJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N3O/c1-19-8-10-37(11-9-19)30-25-14-20(27-16-35-18-28(34)31(27)38-24-4-2-3-5-24)6-7-29(25)36-17-26(30)21-12-22(32)15-23(33)13-21/h6-7,12-19,24H,2-5,8-11H2,1H3.
What are the key properties of 6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline?
6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline has a molecular weight of 517.60 g/mol, XLogP of 7.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopentyloxy-5-fluoro-3-pyridinyl)-3-(3,5-difluorophenyl)-4-(4-methylpiperidin-1-yl)quinoline is sourced from PubChem (CID 134180094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).