1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone

C16H16ClN3O2 — CID 167515382

IUPAC1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCc2cccc(Nc3ccnc(Cl)c3)c21
InChIInChI=1S/C16H16ClN3O2/c1-22-10-15(21)20-8-6-11-3-2-4-13(16(11)20)19-12-5-7-18-14(17)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,18,19)
InChIKeyFVEPQCMNWXTZJH-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.01
Rot. Bonds4

About 1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone

1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone (PubChem CID 167515382) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone
PubChem CID167515382
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCc2cccc(Nc3ccnc(Cl)c3)c21
InChIInChI=1S/C16H16ClN3O2/c1-22-10-15(21)20-8-6-11-3-2-4-13(16(11)20)19-12-5-7-18-14(17)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,18,19)
InChIKeyFVEPQCMNWXTZJH-UHFFFAOYSA-N
XLogP3.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 167515237
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
1-[7-[[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 167515294
1-[7-[[2-(2-methyl-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 167515262
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219569
[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219532
2-chloro-1-(7-chloro-2,3-dihydroindol-1-yl)ethanone
CID 166404156
[4-(2-bromoanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219561
1-[4-[(2,6-dimethyl-4-pyridinyl)methylamino]-2,3-dihydroindol-1-yl]-2-methoxyethanone
CID 167849916
1-(2-chloro-4-pyridinyl)-3-naphthalen-1-ylurea
CID 27190760
methyl 3-[[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109219554
2,3-dihydroindol-1-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109219565

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone (CID 167515382) is 1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone is COCC(=O)N1CCc2cccc(Nc3ccnc(Cl)c3)c21.
What is the InChIKey of 1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone?
The InChIKey is FVEPQCMNWXTZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-22-10-15(21)20-8-6-11-3-2-4-13(16(11)20)19-12-5-7-18-14(17)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,18,19).
What are the key properties of 1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone?
1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone has a molecular weight of 317.78 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(2-chloro-4-pyridinyl)amino]-2,3-dihydroindol-1-yl]-2-methoxyethanone is sourced from PubChem (CID 167515382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).