1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol

C19H26ClN3O — CID 45168438

IUPAC1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol
SMILESCC(C)CNCc1cc2ccc(Cl)cc2nc1N1CCCC(O)C1
InChIInChI=1S/C19H26ClN3O/c1-13(2)10-21-11-15-8-14-5-6-16(20)9-18(14)22-19(15)23-7-3-4-17(24)12-23/h5-6,8-9,13,17,21,24H,3-4,7,10-12H2,1-2H3
InChIKeyFFTOCDJGTYNGCU-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.59
Rot. Bonds5

About 1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol

1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol (PubChem CID 45168438) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol
PubChem CID45168438
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol
SMILESCC(C)CNCc1cc2ccc(Cl)cc2nc1N1CCCC(O)C1
InChIInChI=1S/C19H26ClN3O/c1-13(2)10-21-11-15-8-14-5-6-16(20)9-18(14)22-19(15)23-7-3-4-17(24)12-23/h5-6,8-9,13,17,21,24H,3-4,7,10-12H2,1-2H3
InChIKeyFFTOCDJGTYNGCU-UHFFFAOYSA-N
XLogP3.59
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol (CID 45168438) is 1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol is CC(C)CNCc1cc2ccc(Cl)cc2nc1N1CCCC(O)C1.
What is the InChIKey of 1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol?
The InChIKey is FFTOCDJGTYNGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-13(2)10-21-11-15-8-14-5-6-16(20)9-18(14)22-19(15)23-7-3-4-17(24)12-23/h5-6,8-9,13,17,21,24H,3-4,7,10-12H2,1-2H3.
What are the key properties of 1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol?
1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol has a molecular weight of 347.89 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 45168438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).