4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol

C24H22ClFN6O — CID 141424408

IUPAC4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol
SMILESNC1CCCN(c2ncc(Nc3ccnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1
InChIInChI=1S/C24H22ClFN6O/c25-19-9-15(10-20(26)23(19)33)14-3-4-21-18(8-14)22(5-6-28-21)31-17-11-29-24(30-12-17)32-7-1-2-16(27)13-32/h3-6,8-12,16,33H,1-2,7,13,27H2,(H,28,31)
InChIKeyNIWDNBZBOKHRDW-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.86
Rot. Bonds4

About 4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol

4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol (PubChem CID 141424408) has the molecular formula C24H22ClFN6O and a molecular weight of 464.93 g/mol. Its IUPAC name is 4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol.

Molecular Properties

Compound Name4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol
PubChem CID141424408
Molecular FormulaC24H22ClFN6O
Molecular Weight464.93 g/mol
Exact Mass464.15
IUPAC Name4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol
SMILESNC1CCCN(c2ncc(Nc3ccnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1
InChIInChI=1S/C24H22ClFN6O/c25-19-9-15(10-20(26)23(19)33)14-3-4-21-18(8-14)22(5-6-28-21)31-17-11-29-24(30-12-17)32-7-1-2-16(27)13-32/h3-6,8-12,16,33H,1-2,7,13,27H2,(H,28,31)
InChIKeyNIWDNBZBOKHRDW-UHFFFAOYSA-N
XLogP4.86
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol with MolForge

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Related Compounds

Jak-IN-23
CID 165368933
4-[2-amino-8-[[(3S)-1-methylpiperidin-3-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166633169
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
US9969749, Example 5-18
CID 130446816
US9969749, Example 5-13
CID 130446853
2-Chloro-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]phenol
CID 136123735
4-(7-Chloroquinolin-4-yl)-2-[(3-imidazol-1-ylpropylamino)methyl]phenol
CID 135971376
4-[2-[4-[(7-Chloroquinolin-4-yl)amino]butylamino]-6-(4-hydroxyphenyl)pyrimidin-4-yl]phenol
CID 164616720

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol?
The IUPAC name of 4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol (CID 141424408) is 4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol.
What is the SMILES notation for 4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol?
The canonical SMILES for 4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol is NC1CCCN(c2ncc(Nc3ccnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1.
What is the InChIKey of 4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol?
The InChIKey is NIWDNBZBOKHRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O/c25-19-9-15(10-20(26)23(19)33)14-3-4-21-18(8-14)22(5-6-28-21)31-17-11-29-24(30-12-17)32-7-1-2-16(27)13-32/h3-6,8-12,16,33H,1-2,7,13,27H2,(H,28,31).
What are the key properties of 4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol?
4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol has a molecular weight of 464.93 g/mol, XLogP of 4.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(3-aminopiperidin-1-yl)pyrimidin-5-yl]amino]quinolin-6-yl]-2-chloro-6-fluorophenol is sourced from PubChem (CID 141424408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).