CID 163810007

C10H9BFNO — CID 163810007

IUPAC—
SMILES[B]c1cc2c(cc1F)N(C)C(=O)CC2
InChIInChI=1S/C10H9BFNO/c1-13-9-5-8(12)7(11)4-6(9)2-3-10(13)14/h4-5H,2-3H2,1H3
InChIKeyTUIXCPQKPAYAEU-UHFFFAOYSA-N
MW189.00 g/mol
LogP0.53
Rot. Bonds

About CID 163810007

CID 163810007 (PubChem CID 163810007) has the molecular formula C10H9BFNO and a molecular weight of 189.00 g/mol.

Molecular Properties

Compound NameCID 163810007
PubChem CID163810007
Molecular FormulaC10H9BFNO
Molecular Weight189.00 g/mol
Exact Mass189.08
IUPAC Name—
SMILES[B]c1cc2c(cc1F)N(C)C(=O)CC2
InChIInChI=1S/C10H9BFNO/c1-13-9-5-8(12)7(11)4-6(9)2-3-10(13)14/h4-5H,2-3H2,1H3
InChIKeyTUIXCPQKPAYAEU-UHFFFAOYSA-N
XLogP0.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.00
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-8-carboxamide
CID 156640194
1,7-dimethyl-3,4-dihydroquinolin-2-one
CID 54207242
1,6-dimethyl-3,4-dihydroquinolin-2-one
CID 20546933
N-(2,6-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383268
1-methyl-2-oxo-3,4-dihydroquinoline-7-carbaldehyde
CID 83483627
N-(3,4-difluorophenyl)-1-methyl-2-oxo-3,4-dihydroquinoline-6-sulfonamide
CID 110383269
7-fluoro-1-methyl-6-[5-[2-(methylamino)ethoxy]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 89439966
6-(2-amino-1,1-difluoro-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116839401
1-methyl-6-(2,2,2-trifluoroethyl)-3,4-dihydroquinolin-2-one
CID 116932140
1-methyl-6-(trifluoromethylsulfanyl)-3,4-dihydroquinolin-2-one
CID 159673428
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
2-[[5-(7-fluoro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]oxy]ethylcarbamic acid
CID 142719540

Frequently Asked Questions

What is the IUPAC name of CID 163810007?
The IUPAC name of CID 163810007 (CID 163810007) is not available.
What is the SMILES notation for CID 163810007?
The canonical SMILES for CID 163810007 is [B]c1cc2c(cc1F)N(C)C(=O)CC2.
What is the InChIKey of CID 163810007?
The InChIKey is TUIXCPQKPAYAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BFNO/c1-13-9-5-8(12)7(11)4-6(9)2-3-10(13)14/h4-5H,2-3H2,1H3.
What are the key properties of CID 163810007?
CID 163810007 has a molecular weight of 189.00 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163810007 is sourced from PubChem (CID 163810007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).