carbamic acid;6,8-difluoroquinolin-4-amine

C10H9F2N3O2 — CID 172800812

IUPACcarbamic acid;6,8-difluoroquinolin-4-amine
SMILESNC(=O)O.Nc1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C9H6F2N2.CH3NO2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5;2-1(3)4/h1-4H,(H2,12,13);2H2,(H,3,4)
InChIKeyQVJWKABERIIKIP-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.72
Rot. Bonds

About carbamic acid;6,8-difluoroquinolin-4-amine

carbamic acid;6,8-difluoroquinolin-4-amine (PubChem CID 172800812) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is carbamic acid;6,8-difluoroquinolin-4-amine.

Molecular Properties

Compound Namecarbamic acid;6,8-difluoroquinolin-4-amine
PubChem CID172800812
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namecarbamic acid;6,8-difluoroquinolin-4-amine
SMILESNC(=O)O.Nc1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C9H6F2N2.CH3NO2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5;2-1(3)4/h1-4H,(H2,12,13);2H2,(H,3,4)
InChIKeyQVJWKABERIIKIP-UHFFFAOYSA-N
XLogP1.72
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-6,8-difluoroquinoline-3-carboxylic acid
CID 46397763
6,8-difluoro-4-methylquinoline;ethane
CID 142378188
3-[(6,8-difluoroquinolin-4-yl)amino]benzoic acid
CID 46397774
2-[(6,8-difluoroquinolin-4-yl)amino]-N,3-dimethylbutanamide
CID 133494841
7-fluoro-8-iodoquinolin-4-amine
CID 130499461
carbamic acid;4-fluorophenol
CID 67037635
6,8-difluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
CID 64988724
2-(difluoromethyl)-6,8-difluoroquinolin-4-amine
CID 62891939
6-fluoro-8-methoxyquinoline-4-carboxylic acid
CID 102941769
3-[(6,8-difluoroquinolin-4-yl)amino]butan-1-ol
CID 91661517
6,8-dichloroquinolin-4-amine
CID 16767412
8-bromo-6-fluoroquinoline-5-carboxamide
CID 177323704

Frequently Asked Questions

What is the IUPAC name of carbamic acid;6,8-difluoroquinolin-4-amine?
The IUPAC name of carbamic acid;6,8-difluoroquinolin-4-amine (CID 172800812) is carbamic acid;6,8-difluoroquinolin-4-amine.
What is the SMILES notation for carbamic acid;6,8-difluoroquinolin-4-amine?
The canonical SMILES for carbamic acid;6,8-difluoroquinolin-4-amine is NC(=O)O.Nc1ccnc2c(F)cc(F)cc12.
What is the InChIKey of carbamic acid;6,8-difluoroquinolin-4-amine?
The InChIKey is QVJWKABERIIKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2.CH3NO2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5;2-1(3)4/h1-4H,(H2,12,13);2H2,(H,3,4).
What are the key properties of carbamic acid;6,8-difluoroquinolin-4-amine?
carbamic acid;6,8-difluoroquinolin-4-amine has a molecular weight of 241.20 g/mol, XLogP of 1.72, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;6,8-difluoroquinolin-4-amine is sourced from PubChem (CID 172800812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).