3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane

C27H27ClN4O4 — CID 169185665

IUPAC3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane
SMILESC1COC1.COc1ccc2nccc(-c3[nH]c4c(c3Nc3cccc(Cl)c3OC)C(=O)CCC4)c2n1
InChIInChI=1S/C24H21ClN4O3.C3H6O/c1-31-19-10-9-16-21(29-19)13(11-12-26-16)22-23(20-15(27-22)6-4-8-18(20)30)28-17-7-3-5-14(25)24(17)32-2;1-2-4-3-1/h3,5,7,9-12,27-28H,4,6,8H2,1-2H3;1-3H2
InChIKeyRHVBNXWJHVYAJW-UHFFFAOYSA-N
MW506.99 g/mol
LogP5.96
Rot. Bonds5

About 3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane

3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane (PubChem CID 169185665) has the molecular formula C27H27ClN4O4 and a molecular weight of 506.99 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane
PubChem CID169185665
Molecular FormulaC27H27ClN4O4
Molecular Weight506.99 g/mol
Exact Mass506.17
IUPAC Name3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane
SMILESC1COC1.COc1ccc2nccc(-c3[nH]c4c(c3Nc3cccc(Cl)c3OC)C(=O)CCC4)c2n1
InChIInChI=1S/C24H21ClN4O3.C3H6O/c1-31-19-10-9-16-21(29-19)13(11-12-26-16)22-23(20-15(27-22)6-4-8-18(20)30)28-17-7-3-5-14(25)24(17)32-2;1-2-4-3-1/h3,5,7,9-12,27-28H,4,6,8H2,1-2H3;1-3H2
InChIKeyRHVBNXWJHVYAJW-UHFFFAOYSA-N
XLogP5.96
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.99
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydroindol-4-one
CID 169185643
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)-7-(fluoromethyl)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398654
3-(3-chloro-2-methoxyanilino)-2-[6-(methoxymethyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 163250006
(2S,4R)-8-(3-chloro-2-methoxyanilino)-9-[6-[(3R)-oxolan-3-yl]oxy-1,5-naphthyridin-4-yl]-5,10-diazatricyclo[5.3.0.02,4]deca-1(7),8-dien-6-one
CID 171398952
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
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-fluoro-2-methoxyanilino)-2-[6-(2-methoxyethoxy)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 171398721
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
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
3-(3-chloro-2-methoxyanilino)-2-(3-methyl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;ethane
CID 163224470

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane?
The IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane (CID 169185665) is 3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane.
What is the SMILES notation for 3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane?
The canonical SMILES for 3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane is C1COC1.COc1ccc2nccc(-c3[nH]c4c(c3Nc3cccc(Cl)c3OC)C(=O)CCC4)c2n1.
What is the InChIKey of 3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane?
The InChIKey is RHVBNXWJHVYAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3.C3H6O/c1-31-19-10-9-16-21(29-19)13(11-12-26-16)22-23(20-15(27-22)6-4-8-18(20)30)28-17-7-3-5-14(25)24(17)32-2;1-2-4-3-1/h3,5,7,9-12,27-28H,4,6,8H2,1-2H3;1-3H2.
What are the key properties of 3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane?
3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane has a molecular weight of 506.99 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyanilino)-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,5,6,7-tetrahydroindol-4-one;oxetane is sourced from PubChem (CID 169185665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).