3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one

C19H18N4O3 — CID 75447451

IUPAC3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCc2ncc([N+](=O)[O-])cc2C1
InChIInChI=1S/C19H18N4O3/c24-19(6-5-13-10-20-18-4-2-1-3-16(13)18)22-8-7-17-14(12-22)9-15(11-21-17)23(25)26/h1-4,9-11,20H,5-8,12H2
InChIKeyDWBUXHUSZPQEDL-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.99
Rot. Bonds4

About 3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one

3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one (PubChem CID 75447451) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
PubChem CID75447451
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCc2ncc([N+](=O)[O-])cc2C1
InChIInChI=1S/C19H18N4O3/c24-19(6-5-13-10-20-18-4-2-1-3-16(13)18)22-8-7-17-14(12-22)9-15(11-21-17)23(25)26/h1-4,9-11,20H,5-8,12H2
InChIKeyDWBUXHUSZPQEDL-UHFFFAOYSA-N
XLogP2.99
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 75472817
7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
CID 176506843
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 26404261
3-(1H-indol-3-yl)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 50957558
1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]-2-(1H-indol-3-yl)ethanone
CID 56778396
4-(1H-indol-3-yl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 26868103
3-(1H-indol-3-yl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 26868373
3-(1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 2524334
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
4-(1H-indol-3-yl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 17467441
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
2-(1H-indol-3-yl)-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 47016880

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one (CID 75447451) is 3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCc2ncc([N+](=O)[O-])cc2C1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The InChIKey is DWBUXHUSZPQEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-19(6-5-13-10-20-18-4-2-1-3-16(13)18)22-8-7-17-14(12-22)9-15(11-21-17)23(25)26/h1-4,9-11,20H,5-8,12H2.
What are the key properties of 3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one has a molecular weight of 350.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one is sourced from PubChem (CID 75447451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).