[2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid

C12H14N4O2 — CID 57026745

IUPAC[2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid
SMILESNc1cnc2ccccc2c1C(N)CNC(=O)O
InChIInChI=1S/C12H14N4O2/c13-8-5-15-10-4-2-1-3-7(10)11(8)9(14)6-16-12(17)18/h1-5,9,16H,6,13-14H2,(H,17,18)
InChIKeyLVSRRRQUIVSINL-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.08
Rot. Bonds3

About [2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid

[2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid (PubChem CID 57026745) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is [2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid
PubChem CID57026745
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name[2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid
SMILESNc1cnc2ccccc2c1C(N)CNC(=O)O
InChIInChI=1S/C12H14N4O2/c13-8-5-15-10-4-2-1-3-7(10)11(8)9(14)6-16-12(17)18/h1-5,9,16H,6,13-14H2,(H,17,18)
InChIKeyLVSRRRQUIVSINL-UHFFFAOYSA-N
XLogP1.08
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)quinolin-3-amine
CID 178080175
(2-amino-2-naphthalen-1-ylethyl)carbamic acid
CID 150721997
1-(3-aminoquinolin-4-yl)ethanol
CID 118547425
(2-amino-2-phenylethyl)carbamic acid
CID 66941802
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
[(4R)-4-[(3-aminoquinolin-4-yl)amino]-1-phenylpentan-2-yl]carbamic acid
CID 66620004
2-[(3-aminoquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 103962888
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
ethyl 2-amino-2-[4-(3-aminoquinolin-4-yl)phenyl]acetate
CID 70430235
[4-[(3-aminoquinolin-4-yl)amino]-5-[tert-butyl(dimethyl)silyl]oxypentyl]carbamic acid
CID 69179366
2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 103962855
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176

Frequently Asked Questions

What is the IUPAC name of [2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid?
The IUPAC name of [2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid (CID 57026745) is [2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid.
What is the SMILES notation for [2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid?
The canonical SMILES for [2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid is Nc1cnc2ccccc2c1C(N)CNC(=O)O.
What is the InChIKey of [2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid?
The InChIKey is LVSRRRQUIVSINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c13-8-5-15-10-4-2-1-3-7(10)11(8)9(14)6-16-12(17)18/h1-5,9,16H,6,13-14H2,(H,17,18).
What are the key properties of [2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid?
[2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid has a molecular weight of 246.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-2-(3-aminoquinolin-4-yl)ethyl]carbamic acid is sourced from PubChem (CID 57026745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).