(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone

C17H17FN2O3 — CID 167943797

IUPAC(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone
SMILESCOc1cc(OC)c2c(c1)N(C(=O)c1ncccc1F)CCC2
InChIInChI=1S/C17H17FN2O3/c1-22-11-9-14-12(15(10-11)23-2)5-4-8-20(14)17(21)16-13(18)6-3-7-19-16/h3,6-7,9-10H,4-5,8H2,1-2H3
InChIKeyBRHFFJBQYSJMCQ-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.83
Rot. Bonds3

About (5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone

(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone (PubChem CID 167943797) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is (5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone
PubChem CID167943797
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone
SMILESCOc1cc(OC)c2c(c1)N(C(=O)c1ncccc1F)CCC2
InChIInChI=1S/C17H17FN2O3/c1-22-11-9-14-12(15(10-11)23-2)5-4-8-20(14)17(21)16-13(18)6-3-7-19-16/h3,6-7,9-10H,4-5,8H2,1-2H3
InChIKeyBRHFFJBQYSJMCQ-UHFFFAOYSA-N
XLogP2.83
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171
7-(4-fluoro-phenyl)-3-phenoxymethyl-6,7-dihydro-[1,7]-naphthyridin-8(5H)-one
CID 68008713
5-[4-[(Dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-1,7-naphthyridin-8-one
CID 127051726
1-(2,6-Dimethoxybenzoyl)-4-(4-pyridinylmethyl)piperazine
CID 695011
(2,6-Dimethoxy-phenyl)-(4-pyridin-3-ylmethyl-piperazin-1-yl)-methanone
CID 1112890
5,7-Dimethoxy-4-(4-pyridyl)-1,3,4-trihydroquinolin-2-one
CID 3162437
2,4-dimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 47086441
7-[4-[4-(pyridine-2-carbonyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 168275235
5-(3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrido[4,3-d]pyrimidin-7-yl)-N-ethylpicohnamide
CID 122474073
2'-(2,6-difluoro-3,5-dimethoxyphenyl)-6'-(pyridin-3-yl)-1'H-spiro[cyclopropane-1,4'-[2,7]naphthyridin]-3'(2'H)-one
CID 122474079
5-(3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrido[4,3-d]pyrimidin-7-yl)-N-propylpicolinamide
CID 122474090
5-(3-(2,6-Difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrido[4,3-d]pyrimidin-7-yl)picolinamide
CID 122474128

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone?
The IUPAC name of (5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone (CID 167943797) is (5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone is COc1cc(OC)c2c(c1)N(C(=O)c1ncccc1F)CCC2.
What is the InChIKey of (5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone?
The InChIKey is BRHFFJBQYSJMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-22-11-9-14-12(15(10-11)23-2)5-4-8-20(14)17(21)16-13(18)6-3-7-19-16/h3,6-7,9-10H,4-5,8H2,1-2H3.
What are the key properties of (5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone?
(5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone has a molecular weight of 316.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 167943797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).