(6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid

C12H13N3O3 — CID 70198333

IUPAC(6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid
SMILESCOc1nc2ccc(N)cc2c(C)c1NC(=O)O
InChIInChI=1S/C12H13N3O3/c1-6-8-5-7(13)3-4-9(8)14-11(18-2)10(6)15-12(16)17/h3-5,15H,13H2,1-2H3,(H,16,17)
InChIKeyYZUXSXQVUNWTDE-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.22
Rot. Bonds2

About (6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid

(6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid (PubChem CID 70198333) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is (6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid.

Molecular Properties

Compound Name(6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid
PubChem CID70198333
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name(6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid
SMILESCOc1nc2ccc(N)cc2c(C)c1NC(=O)O
InChIInChI=1S/C12H13N3O3/c1-6-8-5-7(13)3-4-9(8)14-11(18-2)10(6)15-12(16)17/h3-5,15H,13H2,1-2H3,(H,16,17)
InChIKeyYZUXSXQVUNWTDE-UHFFFAOYSA-N
XLogP2.22
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid?
The IUPAC name of (6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid (CID 70198333) is (6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid.
What is the SMILES notation for (6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid?
The canonical SMILES for (6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid is COc1nc2ccc(N)cc2c(C)c1NC(=O)O.
What is the InChIKey of (6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid?
The InChIKey is YZUXSXQVUNWTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-6-8-5-7(13)3-4-9(8)14-11(18-2)10(6)15-12(16)17/h3-5,15H,13H2,1-2H3,(H,16,17).
What are the key properties of (6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid?
(6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid has a molecular weight of 247.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-methoxy-4-methylquinolin-3-yl)carbamic acid is sourced from PubChem (CID 70198333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).