2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide

C26H19FN4O3 — CID 68649048

IUPAC2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
InChIInChI=1S/C26H19FN4O3/c1-34-21-8-4-7-19(27)23(21)26(33)30-16-11-9-15(10-12-16)29-20-13-14-28-24-22(20)17-5-2-3-6-18(17)25(32)31-24/h2-14H,1H3,(H,30,33)(H2,28,29,31,32)
InChIKeySVXYIHAHZMQVBU-UHFFFAOYSA-N
MW454.46 g/mol
LogP5.22
Rot. Bonds5

About 2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide

2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide (PubChem CID 68649048) has the molecular formula C26H19FN4O3 and a molecular weight of 454.46 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
PubChem CID68649048
Molecular FormulaC26H19FN4O3
Molecular Weight454.46 g/mol
Exact Mass454.14
IUPAC Name2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
SMILESCOc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
InChIInChI=1S/C26H19FN4O3/c1-34-21-8-4-7-19(27)23(21)26(33)30-16-11-9-15(10-12-16)29-20-13-14-28-24-22(20)17-5-2-3-6-18(17)25(32)31-24/h2-14H,1H3,(H,30,33)(H2,28,29,31,32)
InChIKeySVXYIHAHZMQVBU-UHFFFAOYSA-N
XLogP5.22
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.46
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Aminopyrimidine amide, 17
CID 24823589
3-methoxy-N-(4-methyl-2-pyridyl)-2-naphthamide
CID 16391032
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
CID 16391033
2-Methoxy-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
CID 10136330
2-Methoxy-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide
CID 10157645
2-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 44205288
4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 75201716
1-[[(1R)-1-[4-fluoro-3-[(3-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]isoquinoline-5-carboxamide
CID 68078668
2-Methoxy-N-(4-methyl-6-propionylamino-pyridin-3-yl)-benzamide
CID 644882
Mcl-1 inhibitor 17
CID 9550319
4-[(4-benzylpiperazin-1-yl)carbonyl]-N-(4-methoxyphenyl)isoquinolin-1-amine
CID 9550715
1-(2-methoxyanilino)-N-(2-methoxyphenyl)-4-isoquinolinecarboxamide
CID 12005316

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide?
The IUPAC name of 2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide (CID 68649048) is 2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide is COc1cccc(F)c1C(=O)Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1.
What is the InChIKey of 2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide?
The InChIKey is SVXYIHAHZMQVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O3/c1-34-21-8-4-7-19(27)23(21)26(33)30-16-11-9-15(10-12-16)29-20-13-14-28-24-22(20)17-5-2-3-6-18(17)25(32)31-24/h2-14H,1H3,(H,30,33)(H2,28,29,31,32).
What are the key properties of 2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide?
2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide has a molecular weight of 454.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide is sourced from PubChem (CID 68649048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).