4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride

C25H32Cl2N4O — CID 146441064

IUPAC4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride
SMILESCC(C)(C)NC1CCN(c2cc(NCc3ccc(Cl)cc3)nc3ccc(O)cc23)CC1.Cl
InChIInChI=1S/C25H31ClN4O.ClH/c1-25(2,3)29-19-10-12-30(13-11-19)23-15-24(27-16-17-4-6-18(26)7-5-17)28-22-9-8-20(31)14-21(22)23;/h4-9,14-15,19,29,31H,10-13,16H2,1-3H3,(H,27,28);1H
InChIKeyZYJWJKDSFYGPIV-UHFFFAOYSA-N
MW475.46 g/mol
LogP5.98
Rot. Bonds5

About 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride

4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride (PubChem CID 146441064) has the molecular formula C25H32Cl2N4O and a molecular weight of 475.46 g/mol. Its IUPAC name is 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride.

Molecular Properties

Compound Name4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride
PubChem CID146441064
Molecular FormulaC25H32Cl2N4O
Molecular Weight475.46 g/mol
Exact Mass474.20
IUPAC Name4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride
SMILESCC(C)(C)NC1CCN(c2cc(NCc3ccc(Cl)cc3)nc3ccc(O)cc23)CC1.Cl
InChIInChI=1S/C25H31ClN4O.ClH/c1-25(2,3)29-19-10-12-30(13-11-19)23-15-24(27-16-17-4-6-18(26)7-5-17)28-22-9-8-20(31)14-21(22)23;/h4-9,14-15,19,29,31H,10-13,16H2,1-3H3,(H,27,28);1H
InChIKeyZYJWJKDSFYGPIV-UHFFFAOYSA-N
XLogP5.98
TPSA60.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride?
The IUPAC name of 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride (CID 146441064) is 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride.
What is the SMILES notation for 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride?
The canonical SMILES for 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride is CC(C)(C)NC1CCN(c2cc(NCc3ccc(Cl)cc3)nc3ccc(O)cc23)CC1.Cl.
What is the InChIKey of 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride?
The InChIKey is ZYJWJKDSFYGPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O.ClH/c1-25(2,3)29-19-10-12-30(13-11-19)23-15-24(27-16-17-4-6-18(26)7-5-17)28-22-9-8-20(31)14-21(22)23;/h4-9,14-15,19,29,31H,10-13,16H2,1-3H3,(H,27,28);1H.
What are the key properties of 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride?
4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride has a molecular weight of 475.46 g/mol, XLogP of 5.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-6-ol;hydrochloride is sourced from PubChem (CID 146441064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).