2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide

C25H20Cl2N4O2 — CID 58564253

IUPAC2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C25H20Cl2N4O2/c26-18-6-3-7-19(27)22(18)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h3,6-13H,1-2,4-5H2,(H,30,33)(H2,28,29,31,32)
InChIKeySSCHBDIZHCXFNV-UHFFFAOYSA-N
MW479.37 g/mol
LogP6.10
Rot. Bonds4

About 2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide

2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide (PubChem CID 58564253) has the molecular formula C25H20Cl2N4O2 and a molecular weight of 479.37 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
PubChem CID58564253
Molecular FormulaC25H20Cl2N4O2
Molecular Weight479.37 g/mol
Exact Mass478.10
IUPAC Name2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C25H20Cl2N4O2/c26-18-6-3-7-19(27)22(18)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h3,6-13H,1-2,4-5H2,(H,30,33)(H2,28,29,31,32)
InChIKeySSCHBDIZHCXFNV-UHFFFAOYSA-N
XLogP6.10
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.37
LogP ≤ 56.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide
CID 58564225
1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one
CID 58564257
N-[4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]benzamide
CID 90755546
4-fluoro-N-[4-[(4-oxo-1,2,3,5-tetrahydropyrazolo[3,4-c][1,8]naphthyridin-9-yl)amino]phenyl]-2-(trifluoromethyl)benzamide
CID 91177682
methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
CID 58168157
2-chloro-6-hydroxy-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzamide
CID 151285712
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]piperidine-4-carboxamide
CID 58168114
1-methyl-N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyrazole-3-carboxamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]pyridine-3-carboxamide
CID 159227461
2-fluoro-N-[4-(7,8,9,10-tetrahydrobenzo[c][1,8]naphthyridin-1-ylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 46849396
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
2,6-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzamide
CID 80547895

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide (CID 58564253) is 2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide is O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4c(c23)CCCC4)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide?
The InChIKey is SSCHBDIZHCXFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N4O2/c26-18-6-3-7-19(27)22(18)25(33)30-15-10-8-14(9-11-15)29-20-12-13-28-23-21(20)16-4-1-2-5-17(16)24(32)31-23/h3,6-13H,1-2,4-5H2,(H,30,33)(H2,28,29,31,32).
What are the key properties of 2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide?
2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide has a molecular weight of 479.37 g/mol, XLogP of 6.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-[(6-oxo-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide is sourced from PubChem (CID 58564253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).