4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol

C25H31ClN4O — CID 146441023

IUPAC4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol
SMILESCC(C)(C)NC1CCN(c2cc(NCc3ccc(Cl)cc3)nc3c(O)cccc23)CC1
InChIInChI=1S/C25H31ClN4O/c1-25(2,3)29-19-11-13-30(14-12-19)21-15-23(27-16-17-7-9-18(26)10-8-17)28-24-20(21)5-4-6-22(24)31/h4-10,15,19,29,31H,11-14,16H2,1-3H3,(H,27,28)
InChIKeyRXUSVOQQHSWORS-UHFFFAOYSA-N
MW439.00 g/mol
LogP5.56
Rot. Bonds5

About 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol

4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol (PubChem CID 146441023) has the molecular formula C25H31ClN4O and a molecular weight of 439.00 g/mol. Its IUPAC name is 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol.

Molecular Properties

Compound Name4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol
PubChem CID146441023
Molecular FormulaC25H31ClN4O
Molecular Weight439.00 g/mol
Exact Mass438.22
IUPAC Name4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol
SMILESCC(C)(C)NC1CCN(c2cc(NCc3ccc(Cl)cc3)nc3c(O)cccc23)CC1
InChIInChI=1S/C25H31ClN4O/c1-25(2,3)29-19-11-13-30(14-12-19)21-15-23(27-16-17-7-9-18(26)10-8-17)28-24-20(21)5-4-6-22(24)31/h4-10,15,19,29,31H,11-14,16H2,1-3H3,(H,27,28)
InChIKeyRXUSVOQQHSWORS-UHFFFAOYSA-N
XLogP5.56
TPSA60.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.00
LogP ≤ 55.56
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-8-ol?
The IUPAC name of 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol (CID 146441023) is 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol.
What is the SMILES notation for 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol?
The canonical SMILES for 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol is CC(C)(C)NC1CCN(c2cc(NCc3ccc(Cl)cc3)nc3c(O)cccc23)CC1.
What is the InChIKey of 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol?
The InChIKey is RXUSVOQQHSWORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O/c1-25(2,3)29-19-11-13-30(14-12-19)21-15-23(27-16-17-7-9-18(26)10-8-17)28-24-20(21)5-4-6-22(24)31/h4-10,15,19,29,31H,11-14,16H2,1-3H3,(H,27,28).
What are the key properties of 4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol?
4-[4-(tert-butylamino)piperidin-1-yl]-2-[(4-chlorophenyl)methylamino]quinolin-8-ol has a molecular weight of 439.00 g/mol, XLogP of 5.56, 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-8-ol is sourced from PubChem (CID 146441023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).