(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H17FN2O — CID 63109770

IUPAC(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1N
InChIInChI=1S/C17H17FN2O/c1-11-4-7-16-12(9-11)3-2-8-20(16)17(21)14-6-5-13(18)10-15(14)19/h4-7,9-10H,2-3,8,19H2,1H3
InChIKeyULTMLKNWQZOUQP-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.31
Rot. Bonds1

About (2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 63109770) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID63109770
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1N
InChIInChI=1S/C17H17FN2O/c1-11-4-7-16-12(9-11)3-2-8-20(16)17(21)14-6-5-13(18)10-15(14)19/h4-7,9-10H,2-3,8,19H2,1H3
InChIKeyULTMLKNWQZOUQP-UHFFFAOYSA-N
XLogP3.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103608124
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
(4-amino-1-methylpyrrol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43642979
(2,5-dimethylfuran-3-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 27212095
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-bromo-5-methylphenyl)methanone
CID 81110443
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24696393
5-fluoro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
CID 43312932
(2-amino-4-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 62153420
3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-4-one
CID 103337008
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 8893058

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 63109770) is (2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1N.
What is the InChIKey of (2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ULTMLKNWQZOUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11-4-7-16-12(9-11)3-2-8-20(16)17(21)14-6-5-13(18)10-15(14)19/h4-7,9-10H,2-3,8,19H2,1H3.
What are the key properties of (2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 284.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 63109770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).