1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one

C20H19N3O3 — CID 67425401

IUPAC1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2nccc(Oc3ccc4c(c3)OCCN4)c2c2c1CCCC2
InChIInChI=1S/C20H19N3O3/c24-20-14-4-2-1-3-13(14)18-16(7-8-22-19(18)23-20)26-12-5-6-15-17(11-12)25-10-9-21-15/h5-8,11,21H,1-4,9-10H2,(H,22,23,24)
InChIKeyNRRYULIIACYLDV-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.40
Rot. Bonds2

About 1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one

1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 67425401) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID67425401
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2nccc(Oc3ccc4c(c3)OCCN4)c2c2c1CCCC2
InChIInChI=1S/C20H19N3O3/c24-20-14-4-2-1-3-13(14)18-16(7-8-22-19(18)23-20)26-12-5-6-15-17(11-12)25-10-9-21-15/h5-8,11,21H,1-4,9-10H2,(H,22,23,24)
InChIKeyNRRYULIIACYLDV-UHFFFAOYSA-N
XLogP3.40
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one with MolForge

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Related Compounds

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CID 16018879
N-(4-methoxyphenyl)-4-(3-oxidanylidene-2-phenyl-pyrido[3,2-b][1,4]oxazin-4-yl)butanamide
CID 22553140
N-(2-methoxyphenyl)-4-{3-oxo-2-phenyl-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}butanamide
CID 22553200
2-(2,4-dimethoxyphenylimino)-7-hydroxy-N-(pyridin-2-yl)-2H-chromene-3-carboxamide
CID 135512118
N-[8-[(2S)-2-amino-2,4-dimethylpentoxy]-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
CID 117953652
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2-[(2,4-dimethoxyphenyl)amino]-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 16194437
2-[(2,4-dimethoxyphenyl)amino]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 16194438
N-(2,4-Dimethoxyphenyl)-6-(3-phenylpiperazin-1-YL)pyridine-3-carboxamide
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N-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one (CID 67425401) is 1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one is O=c1[nH]c2nccc(Oc3ccc4c(c3)OCCN4)c2c2c1CCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is NRRYULIIACYLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20-14-4-2-1-3-13(14)18-16(7-8-22-19(18)23-20)26-12-5-6-15-17(11-12)25-10-9-21-15/h5-8,11,21H,1-4,9-10H2,(H,22,23,24).
What are the key properties of 1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one?
1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 349.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,4-benzoxazin-7-yloxy)-7,8,9,10-tetrahydro-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 67425401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).