1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one

C25H23N3O2 — CID 58564257

IUPAC1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2nccc(Nc3cccc(OCc4ccccc4)c3)c2c2c1CCCC2
InChIInChI=1S/C25H23N3O2/c29-25-21-12-5-4-11-20(21)23-22(13-14-26-24(23)28-25)27-18-9-6-10-19(15-18)30-16-17-7-2-1-3-8-17/h1-3,6-10,13-15H,4-5,11-12,16H2,(H2,26,27,28,29)
InChIKeyAGIJDZPJJJSYEC-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.12
Rot. Bonds5

About 1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one

1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 58564257) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID58564257
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2nccc(Nc3cccc(OCc4ccccc4)c3)c2c2c1CCCC2
InChIInChI=1S/C25H23N3O2/c29-25-21-12-5-4-11-20(21)23-22(13-14-26-24(23)28-25)27-18-9-6-10-19(15-18)30-16-17-7-2-1-3-8-17/h1-3,6-10,13-15H,4-5,11-12,16H2,(H2,26,27,28,29)
InChIKeyAGIJDZPJJJSYEC-UHFFFAOYSA-N
XLogP5.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-phenylmethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,2-diamine
CID 86689306
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
1-[4-(3-phenylmethoxyanilino)phenyl]ethanone
CID 174285774
2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
CID 164645110
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]indol-4-amine
CID 58064814
2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
4-fluoro-2-(3-phenylmethoxyanilino)benzoic acid
CID 169410438
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
N-[3-(2-methoxyethoxy)phenyl]-2-methyl-4-phenylmethoxyaniline
CID 146295838
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one (CID 58564257) is 1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one is O=c1[nH]c2nccc(Nc3cccc(OCc4ccccc4)c3)c2c2c1CCCC2.
What is the InChIKey of 1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is AGIJDZPJJJSYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-25-21-12-5-4-11-20(21)23-22(13-14-26-24(23)28-25)27-18-9-6-10-19(15-18)30-16-17-7-2-1-3-8-17/h1-3,6-10,13-15H,4-5,11-12,16H2,(H2,26,27,28,29).
What are the key properties of 1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one?
1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 397.48 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxyanilino)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 58564257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).