3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one

C30H32ClN5O4 — CID 169185643

IUPAC3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccnc3ccc(OCCCN4CCOCC4)nc23)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C30H32ClN5O4/c1-38-30-20(31)5-2-7-23(30)34-29-26-21(6-3-8-24(26)37)33-28(29)19-11-12-32-22-9-10-25(35-27(19)22)40-16-4-13-36-14-17-39-18-15-36/h2,5,7,9-12,33-34H,3-4,6,8,13-18H2,1H3
InChIKeyLLDSXDIUECTDER-UHFFFAOYSA-N
MW562.07 g/mol
LogP5.65
Rot. Bonds9

About 3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one

3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one (PubChem CID 169185643) has the molecular formula C30H32ClN5O4 and a molecular weight of 562.07 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one
PubChem CID169185643
Molecular FormulaC30H32ClN5O4
Molecular Weight562.07 g/mol
Exact Mass561.21
IUPAC Name3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one
SMILESCOc1c(Cl)cccc1Nc1c(-c2ccnc3ccc(OCCCN4CCOCC4)nc23)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C30H32ClN5O4/c1-38-30-20(31)5-2-7-23(30)34-29-26-21(6-3-8-24(26)37)33-28(29)19-11-12-32-22-9-10-25(35-27(19)22)40-16-4-13-36-14-17-39-18-15-36/h2,5,7,9-12,33-34H,3-4,6,8,13-18H2,1H3
InChIKeyLLDSXDIUECTDER-UHFFFAOYSA-N
XLogP5.65
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.07
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane
CID 169185665
3-(3-chloro-2-methoxyanilino)-2-[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one
CID 169185638
3-(3-chloro-2-methoxyanilino)-2-[6-(1-methylcyclopropyl)oxy-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one
CID 169185627
3-(3-chloro-2-methoxyanilino)-2-(6-ethoxy-1,5-naphthyridin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopropane]-4-one
CID 171398772
3-(3-chloro-2-methoxyanilino)-7-(fluoromethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398654
tert-butyl (2R)-2-[[4-[3-(3-chloro-2-methoxyanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-3-pyridinyl]oxymethyl]azetidine-1-carboxylate
CID 169185610
3-(2,3-dichloroanilino)-2-(2-methoxypyrido[3,2-d]pyrimidin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250281
2-[2-amino-3-[2-(6-methoxy-2-pyridinyl)ethynyl]-4-pyridinyl]-3-(3-chloro-2-methoxyanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 170384089
3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane
CID 163224470
8-(3-chloro-2-methylanilino)-9-(6-methoxy-1,5-naphthyridin-4-yl)-5,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-dien-6-one
CID 171398920
tert-butyl (3S)-3-[[4-[3-(3-chloro-2-methoxyanilino)-5-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-3-pyridinyl]oxymethyl]morpholine-4-carboxylate
CID 163223712
3-(3-chloro-2-methoxyanilino)-2-[3-[2-[2-[(E)-4-(dimethylamino)but-2-enoyl]-2-azabicyclo[2.1.1]hexan-1-yl]ethynyl]-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one
CID 169185603

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one (CID 169185643) is 3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one is COc1c(Cl)cccc1Nc1c(-c2ccnc3ccc(OCCCN4CCOCC4)nc23)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is LLDSXDIUECTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClN5O4/c1-38-30-20(31)5-2-7-23(30)34-29-26-21(6-3-8-24(26)37)33-28(29)19-11-12-32-22-9-10-25(35-27(19)22)40-16-4-13-36-14-17-39-18-15-36/h2,5,7,9-12,33-34H,3-4,6,8,13-18H2,1H3.
What are the key properties of 3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one?
3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 562.07 g/mol, XLogP of 5.65, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyanilino)-2-[6-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 169185643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).