tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate

C15H18ClN3O2 — CID 123920794

IUPACtert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc2cc(Cl)ccc2nc1N
InChIInChI=1S/C15H18ClN3O2/c1-15(2,3)21-14(20)18-8-10-6-9-7-11(16)4-5-12(9)19-13(10)17/h4-7H,8H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyDFNUUNHWFAVUTF-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.50
Rot. Bonds2

About tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate

tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate (PubChem CID 123920794) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate
PubChem CID123920794
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Nametert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc2cc(Cl)ccc2nc1N
InChIInChI=1S/C15H18ClN3O2/c1-15(2,3)21-14(20)18-8-10-6-9-7-11(16)4-5-12(9)19-13(10)17/h4-7H,8H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyDFNUUNHWFAVUTF-UHFFFAOYSA-N
XLogP3.50
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
CID 59463172
4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 7146376
tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate
CID 157342432
tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate
CID 117274813
tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate
CID 102538086
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]quinoline-2-carboxylic acid
CID 177053270
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
tert-butyl N-[(6-chloropyrido[3,2-c]pyridazin-3-yl)methyl]carbamate
CID 156818946
tert-butyl N-[2-[(5-chloro-2-fluorophenyl)methylamino]-2-methylpropyl]carbamate
CID 103844995
tert-butyl N-(acridin-4-ylmethyl)carbamate
CID 154037573
tert-butyl N-[[1-[(6-chloroquinoline-2-carbonyl)amino]piperidin-4-yl]methyl]carbamate
CID 155741710
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate (CID 123920794) is tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cc2cc(Cl)ccc2nc1N.
What is the InChIKey of tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate?
The InChIKey is DFNUUNHWFAVUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-15(2,3)21-14(20)18-8-10-6-9-7-11(16)4-5-12(9)19-13(10)17/h4-7H,8H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate?
tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate has a molecular weight of 307.78 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate is sourced from PubChem (CID 123920794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).