[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

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Related Compounds

tert-butyl N-[1-[2-(7-fluoro-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-4-yl]carbamate
CID 66971140
1-(7-bromo-2-methoxyquinolin-8-yl)ethane-1,2-diol
CID 67134747
[4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate
CID 140566064
methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 68529498
[1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid
CID 69063193
tert-butyl N-[1-[2-(7-bromo-2-methoxyquinolin-8-yl)-3-hydroxypropyl]piperidin-1-ium-1-yl]carbamate
CID 91502703
[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid
CID 141275453
tert-butyl N-[(4R)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-hydroxypropyl]-4-hydroxypiperidin-3-yl]carbamate
CID 70883923
[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]carbamic acid
CID 154258087
[1-tert-butyl-1-[2-(6-fluoro-3-methoxyquinoxalin-5-yl)-3-hydroxypropyl]piperidin-1-ium-4-yl]carbamic acid
CID 69279597
1-(7-bromo-2-methoxyquinolin-8-yl)-2-[tert-butyl(dimethyl)silyl]oxyethanol
CID 67130989
methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)-3-[(3S)-3-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidin-1-yl]propanoate
CID 87486921

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).