tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate

C18H25N3O2 — CID 103390582

IUPACtert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1cccc2cccnc12
InChIInChI=1S/C18H25N3O2/c1-13(11-21-17(22)23-18(2,3)4)20-12-15-8-5-7-14-9-6-10-19-16(14)15/h5-10,13,20H,11-12H2,1-4H3,(H,21,22)
InChIKeyFHIKIOMXOTXPBR-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.24
Rot. Bonds5

About tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate

tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate (PubChem CID 103390582) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
PubChem CID103390582
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Nametert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1cccc2cccnc12
InChIInChI=1S/C18H25N3O2/c1-13(11-21-17(22)23-18(2,3)4)20-12-15-8-5-7-14-9-6-10-19-16(14)15/h5-10,13,20H,11-12H2,1-4H3,(H,21,22)
InChIKeyFHIKIOMXOTXPBR-UHFFFAOYSA-N
XLogP3.24
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate
CID 103389782
tert-butyl (2R)-4-methyl-2-(quinolin-8-ylmethylamino)pentanoate
CID 75380269
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
tert-butyl 3-(quinolin-8-ylmethylamino)propanoate
CID 103700021
tert-butyl N-[2-(quinolin-4-ylmethylamino)propyl]carbamate
CID 107248566
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
tert-butyl N-[2-[(3-chloro-2-hydroxyphenyl)methylamino]propyl]carbamate
CID 107248591
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-8-ylpropanoic acid
CID 103666134
tert-butyl N-[2-[(2-cyanophenyl)methylamino]propyl]carbamate
CID 107936041
tert-butyl N-[2-(pyridin-4-ylmethylamino)propyl]carbamate
CID 103387526
tert-butyl N-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 103387484

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate (CID 103390582) is tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCc1cccc2cccnc12.
What is the InChIKey of tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate?
The InChIKey is FHIKIOMXOTXPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(11-21-17(22)23-18(2,3)4)20-12-15-8-5-7-14-9-6-10-19-16(14)15/h5-10,13,20H,11-12H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate?
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate has a molecular weight of 315.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 103390582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).