[cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate

C21H28N2O3 — CID 67068370

IUPAC[cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(c1cc(CCCO)cc2cccnc12)C1CC1
InChIInChI=1S/C21H28N2O3/c1-21(2,3)23-20(25)26-19(15-8-9-15)17-13-14(6-5-11-24)12-16-7-4-10-22-18(16)17/h4,7,10,12-13,15,19,24H,5-6,8-9,11H2,1-3H3,(H,23,25)
InChIKeyVRLOPVPFWSEGCM-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.14
Rot. Bonds6

About [cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate

[cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate (PubChem CID 67068370) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is [cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate
PubChem CID67068370
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name[cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(c1cc(CCCO)cc2cccnc12)C1CC1
InChIInChI=1S/C21H28N2O3/c1-21(2,3)23-20(25)26-19(15-8-9-15)17-13-14(6-5-11-24)12-16-7-4-10-22-18(16)17/h4,7,10,12-13,15,19,24H,5-6,8-9,11H2,1-3H3,(H,23,25)
InChIKeyVRLOPVPFWSEGCM-UHFFFAOYSA-N
XLogP4.14
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-hydroxypropyl)quinolin-8-yl]methyl N-tert-butyl-N-cyclopropylcarbamate
CID 90858926
N-tert-butyl-4-[[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]methyl]cyclohexane-1-carboxamide
CID 25264924
N-tert-butyl-4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butanamide
CID 25263959
methyl 2-(cyclopropylmethylamino)-2-quinolin-8-ylacetate
CID 63969784
N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
CID 115595956
N-[3-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]propyl]-2-methylpropanamide
CID 25265214
6-butylquinolin-8-ol
CID 130033187
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
methyl 3-(8-methylquinolin-6-yl)propanoate
CID 82578281
2-methylpropyl 4-(6-hexylquinolin-8-yl)oxypiperidine-1-carboxylate
CID 68732155
1-[4-[2-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 131739801

Frequently Asked Questions

What is the IUPAC name of [cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate?
The IUPAC name of [cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate (CID 67068370) is [cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate.
What is the SMILES notation for [cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate?
The canonical SMILES for [cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(c1cc(CCCO)cc2cccnc12)C1CC1.
What is the InChIKey of [cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate?
The InChIKey is VRLOPVPFWSEGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-21(2,3)23-20(25)26-19(15-8-9-15)17-13-14(6-5-11-24)12-16-7-4-10-22-18(16)17/h4,7,10,12-13,15,19,24H,5-6,8-9,11H2,1-3H3,(H,23,25).
What are the key properties of [cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate?
[cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate has a molecular weight of 356.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropyl-[6-(3-hydroxypropyl)quinolin-8-yl]methyl] N-tert-butylcarbamate is sourced from PubChem (CID 67068370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).