[2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid

C13H15N3O2 — CID 155227462

IUPAC[2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid
SMILESCN(C)Cc1ccc2cccc(NC(=O)O)c2n1
InChIInChI=1S/C13H15N3O2/c1-16(2)8-10-7-6-9-4-3-5-11(12(9)14-10)15-13(17)18/h3-7,15H,8H2,1-2H3,(H,17,18)
InChIKeyRCZBTQGVCGLXKA-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.39
Rot. Bonds3

About [2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid

[2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid (PubChem CID 155227462) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid
PubChem CID155227462
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid
SMILESCN(C)Cc1ccc2cccc(NC(=O)O)c2n1
InChIInChI=1S/C13H15N3O2/c1-16(2)8-10-7-6-9-4-3-5-11(12(9)14-10)15-13(17)18/h3-7,15H,8H2,1-2H3,(H,17,18)
InChIKeyRCZBTQGVCGLXKA-UHFFFAOYSA-N
XLogP2.39
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid?
The IUPAC name of [2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid (CID 155227462) is [2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid.
What is the SMILES notation for [2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid?
The canonical SMILES for [2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid is CN(C)Cc1ccc2cccc(NC(=O)O)c2n1.
What is the InChIKey of [2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid?
The InChIKey is RCZBTQGVCGLXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16(2)8-10-7-6-9-4-3-5-11(12(9)14-10)15-13(17)18/h3-7,15H,8H2,1-2H3,(H,17,18).
What are the key properties of [2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid?
[2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid has a molecular weight of 245.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid is sourced from PubChem (CID 155227462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).