2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate

C12H14N4O2 — CID 83202979

IUPAC2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1ccc2ncccc2c1N
InChIInChI=1S/C12H14N4O2/c13-11-8-2-1-5-15-9(8)3-4-10(11)16-6-7-18-12(14)17/h1-5,16H,6-7,13H2,(H2,14,17)
InChIKeyBTLRMCODVRONOW-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.32
Rot. Bonds4

About 2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate

2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate (PubChem CID 83202979) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate
PubChem CID83202979
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNc1ccc2ncccc2c1N
InChIInChI=1S/C12H14N4O2/c13-11-8-2-1-5-15-9(8)3-4-10(11)16-6-7-18-12(14)17/h1-5,16H,6-7,13H2,(H2,14,17)
InChIKeyBTLRMCODVRONOW-UHFFFAOYSA-N
XLogP1.32
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol
CID 62499591
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
6-N-ethylquinoline-5,6-diamine
CID 43809532
6-N-[2-[2-methoxyethyl(methyl)amino]ethyl]quinoline-5,6-diamine
CID 62844494
6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
CID 60919863
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120233
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268
2-[(8-aminoisoquinolin-5-yl)amino]ethyl carbamate
CID 83201721

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate (CID 83202979) is 2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate is NC(=O)OCCNc1ccc2ncccc2c1N.
What is the InChIKey of 2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate?
The InChIKey is BTLRMCODVRONOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-11-8-2-1-5-15-9(8)3-4-10(11)16-6-7-18-12(14)17/h1-5,16H,6-7,13H2,(H2,14,17).
What are the key properties of 2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate?
2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate has a molecular weight of 246.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate is sourced from PubChem (CID 83202979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).