[1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid

C19H24BrN3O4 — CID 68531406

IUPAC[1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2ccc(Br)c(C(CO)CN3CCC(NC(=O)O)CC3)c2n1
InChIInChI=1S/C19H24BrN3O4/c1-27-16-5-3-12-2-4-15(20)17(18(12)22-16)13(11-24)10-23-8-6-14(7-9-23)21-19(25)26/h2-5,13-14,21,24H,6-11H2,1H3,(H,25,26)
InChIKeyHVWMYBNMYHYWAV-UHFFFAOYSA-N
MW438.32 g/mol
LogP2.81
Rot. Bonds6

About [1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid

[1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid (PubChem CID 68531406) has the molecular formula C19H24BrN3O4 and a molecular weight of 438.32 g/mol. Its IUPAC name is [1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid
PubChem CID68531406
Molecular FormulaC19H24BrN3O4
Molecular Weight438.32 g/mol
Exact Mass437.10
IUPAC Name[1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2ccc(Br)c(C(CO)CN3CCC(NC(=O)O)CC3)c2n1
InChIInChI=1S/C19H24BrN3O4/c1-27-16-5-3-12-2-4-15(20)17(18(12)22-16)13(11-24)10-23-8-6-14(7-9-23)21-19(25)26/h2-5,13-14,21,24H,6-11H2,1H3,(H,25,26)
InChIKeyHVWMYBNMYHYWAV-UHFFFAOYSA-N
XLogP2.81
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid (CID 68531406) is [1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid is COc1ccc2ccc(Br)c(C(CO)CN3CCC(NC(=O)O)CC3)c2n1.
What is the InChIKey of [1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid?
The InChIKey is HVWMYBNMYHYWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O4/c1-27-16-5-3-12-2-4-15(20)17(18(12)22-16)13(11-24)10-23-8-6-14(7-9-23)21-19(25)26/h2-5,13-14,21,24H,6-11H2,1H3,(H,25,26).
What are the key properties of [1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid?
[1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid has a molecular weight of 438.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68531406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).