3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide

C27H28FN3O4 — CID 122174586

IUPAC3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(C(=O)N(C)CCc1ccccn1)C(c1ccccc1F)N(C)C2=O
InChIInChI=1S/C27H28FN3O4/c1-30(14-12-17-9-7-8-13-29-17)27(33)24-19-15-22(34-3)23(35-4)16-20(19)26(32)31(2)25(24)18-10-5-6-11-21(18)28/h5-11,13,15-16,24-25H,12,14H2,1-4H3
InChIKeyKQXALSJHAOYUGL-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.85
Rot. Bonds7

About 3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide

3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 122174586) has the molecular formula C27H28FN3O4 and a molecular weight of 477.54 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID122174586
Molecular FormulaC27H28FN3O4
Molecular Weight477.54 g/mol
Exact Mass477.21
IUPAC Name3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(C(=O)N(C)CCc1ccccn1)C(c1ccccc1F)N(C)C2=O
InChIInChI=1S/C27H28FN3O4/c1-30(14-12-17-9-7-8-13-29-17)27(33)24-19-15-22(34-3)23(35-4)16-20(19)26(32)31(2)25(24)18-10-5-6-11-21(18)28/h5-11,13,15-16,24-25H,12,14H2,1-4H3
InChIKeyKQXALSJHAOYUGL-UHFFFAOYSA-N
XLogP3.85
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide with MolForge

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Related Compounds

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CID 148201
Papaveraldine
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CID 15511440
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N-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyridin-3-ylpyridine-3-carboxamide
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(6aS)-2,3-dimethoxy-8-quinolin-3-yl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
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[2-(3,4-Dimethoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 4334700
methyl 2-amino-4-(3,4-dimethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3238697
2-ethyl-6,7-dimethoxy-1-oxo-N-(pyridin-3-ylmethyl)-1,2-dihydroisoquinoline-4-carboxamide
CID 3239765
6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
CID 5307222
8,9-Dimethoxy-3-nitro-5-[2-(N,N-dimethylamino)ethyl]-5H-dibenzo[c,h][1,6]naphthyridin-6-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide (CID 122174586) is 3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide is COc1cc2c(cc1OC)C(C(=O)N(C)CCc1ccccn1)C(c1ccccc1F)N(C)C2=O.
What is the InChIKey of 3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is KQXALSJHAOYUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O4/c1-30(14-12-17-9-7-8-13-29-17)27(33)24-19-15-22(34-3)23(35-4)16-20(19)26(32)31(2)25(24)18-10-5-6-11-21(18)28/h5-11,13,15-16,24-25H,12,14H2,1-4H3.
What are the key properties of 3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide?
3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxo-N-(2-pyridin-2-ylethyl)-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 122174586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).