[6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate

C21H28N2O3 — CID 90858926

IUPAC[6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate
SMILESCC(C)(C)N(C(=O)OCc1cc(CCCO)cc2cccnc12)C1CC1
InChIInChI=1S/C21H28N2O3/c1-21(2,3)23(18-8-9-18)20(25)26-14-17-13-15(6-5-11-24)12-16-7-4-10-22-19(16)17/h4,7,10,12-13,18,24H,5-6,8-9,11,14H2,1-3H3
InChIKeyYMCKYOBVIFSQTN-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.06
Rot. Bonds6

About [6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate

[6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate (PubChem CID 90858926) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is [6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate.

Molecular Properties

Compound Name[6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate
PubChem CID90858926
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name[6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate
SMILESCC(C)(C)N(C(=O)OCc1cc(CCCO)cc2cccnc12)C1CC1
InChIInChI=1S/C21H28N2O3/c1-21(2,3)23(18-8-9-18)20(25)26-14-17-13-15(6-5-11-24)12-16-7-4-10-22-19(16)17/h4,7,10,12-13,18,24H,5-6,8-9,11,14H2,1-3H3
InChIKeyYMCKYOBVIFSQTN-UHFFFAOYSA-N
XLogP4.06
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate with MolForge

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Related Compounds

[cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate
CID 67068370
[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl N-tert-butyl-N-cyclopropylcarbamate
CID 140704596
tert-butyl-[5-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]pentyl]carbamic acid
CID 66921929
(3R)-1-tert-butyl-3-(6-butylquinolin-8-yl)oxypyrrolidin-1-ium-1-carboxylic acid
CID 68729880
2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate
CID 68732155
methyl 3-(8-methylquinolin-6-yl)propanoate
CID 82578281
[1-tert-butyl-2-[[6-(2-cyanoethyl)quinolin-8-yl]methyl]cyclopropyl]carbamic acid
CID 67068373
6-butylquinolin-8-ol
CID 130033187
1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 131739801
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366
2-[cyclopropyl(quinolin-8-ylmethyl)amino]ethanol
CID 60510570
N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide
CID 25263959

Frequently Asked Questions

What is the IUPAC name of [6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The IUPAC name of [6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate (CID 90858926) is [6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate.
What is the SMILES notation for [6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The canonical SMILES for [6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate is CC(C)(C)N(C(=O)OCc1cc(CCCO)cc2cccnc12)C1CC1.
What is the InChIKey of [6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate?
The InChIKey is YMCKYOBVIFSQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-21(2,3)23(18-8-9-18)20(25)26-14-17-13-15(6-5-11-24)12-16-7-4-10-22-19(16)17/h4,7,10,12-13,18,24H,5-6,8-9,11,14H2,1-3H3.
What are the key properties of [6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate?
[6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate has a molecular weight of 356.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate is sourced from PubChem (CID 90858926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).