4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol

C25H23ClFN5O — CID 123507771

IUPAC4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol
SMILESNC1CCCN(c2ccc(Nc3ccnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1
InChIInChI=1S/C25H23ClFN5O/c26-20-11-16(12-21(27)25(20)33)15-3-5-22-19(10-15)23(7-8-29-22)31-18-4-6-24(30-13-18)32-9-1-2-17(28)14-32/h3-8,10-13,17,33H,1-2,9,14,28H2,(H,29,31)
InChIKeyYUNSEWJVRMEPSE-UHFFFAOYSA-N
MW463.94 g/mol
LogP5.47
Rot. Bonds4

About 4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol

4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol (PubChem CID 123507771) has the molecular formula C25H23ClFN5O and a molecular weight of 463.94 g/mol. Its IUPAC name is 4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol.

Molecular Properties

Compound Name4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol
PubChem CID123507771
Molecular FormulaC25H23ClFN5O
Molecular Weight463.94 g/mol
Exact Mass463.16
IUPAC Name4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol
SMILESNC1CCCN(c2ccc(Nc3ccnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1
InChIInChI=1S/C25H23ClFN5O/c26-20-11-16(12-21(27)25(20)33)15-3-5-22-19(10-15)23(7-8-29-22)31-18-4-6-24(30-13-18)32-9-1-2-17(28)14-32/h3-8,10-13,17,33H,1-2,9,14,28H2,(H,29,31)
InChIKeyYUNSEWJVRMEPSE-UHFFFAOYSA-N
XLogP5.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.94
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol with MolForge

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Related Compounds

Jak-IN-23
CID 165368933
4-(4-(6-(3-Aminopiperidin-1-yl)pyridin-3-ylamino)-3-(methylsulfonyl)quinolin-6-yl)-2,6-dichlorophenol
CID 66715888
(R)-(4-(6-(3-aminopiperidin-1-yl)pyridin-3-ylamino)-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl)(cyclopropyl)methanone
CID 66715906
(R)-(4-(6-(3-aminopiperidin-1-yl)pyridin-3-ylamino)-6-(3-chloro-5-fluoro-4-hydroxyphenyl)quinolin-3-yl)(cyclopropyl)methanone
CID 66716047
1-(4-(6-(3-Aminopiperidin-1-yl)pyridin-3-ylamino)-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl)ethanone
CID 66716192
1-(4-(6-(3-Aminopiperidin-1-yl)pyridin-3-ylamino)-6-(3-chloro-5-fluoro-4-hydroxyphenyl)quinolin-3-yl)ethanone
CID 68298775
2-Chloro-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenol
CID 136123735
2,6-dichloro-4-[2-methyl-1-[(3S)-1-methylpiperidin-3-yl]imidazo[4,5-c]quinolin-8-yl]phenol
CID 168270125
2-Chloro-4-[2-methyl-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168276438
2,6-Dichloro-4-[2-methyl-1-(1-methylpiperidin-3-yl)imidazo[4,5-c]quinolin-8-yl]phenol
CID 168279308
2,6-Dichloro-4-[1-[4-(dimethylamino)cyclohexyl]-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168280657
2,6-Dichloro-4-[1-[1-[(dimethylamino)methyl]piperidin-4-yl]-2-methylimidazo[4,5-c]quinolin-8-yl]phenol
CID 168284982

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol?
The IUPAC name of 4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol (CID 123507771) is 4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol.
What is the SMILES notation for 4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol?
The canonical SMILES for 4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol is NC1CCCN(c2ccc(Nc3ccnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1.
What is the InChIKey of 4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol?
The InChIKey is YUNSEWJVRMEPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O/c26-20-11-16(12-21(27)25(20)33)15-3-5-22-19(10-15)23(7-8-29-22)31-18-4-6-24(30-13-18)32-9-1-2-17(28)14-32/h3-8,10-13,17,33H,1-2,9,14,28H2,(H,29,31).
What are the key properties of 4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol?
4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol has a molecular weight of 463.94 g/mol, XLogP of 5.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[6-(3-aminopiperidin-1-yl)-3-pyridinyl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol is sourced from PubChem (CID 123507771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).