(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone

C15H14N2O2 — CID 52795317

IUPAC(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)c1ccncc1
InChIInChI=1S/C15H14N2O2/c1-19-13-2-3-14-12(10-13)6-9-17(14)15(18)11-4-7-16-8-5-11/h2-5,7-8,10H,6,9H2,1H3
InChIKeyFIMLAPYZTQRTBR-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.29
Rot. Bonds2

About (5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone

(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone (PubChem CID 52795317) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
PubChem CID52795317
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
SMILESCOc1ccc2c(c1)CCN2C(=O)c1ccncc1
InChIInChI=1S/C15H14N2O2/c1-19-13-2-3-14-12(10-13)6-9-17(14)15(18)11-4-7-16-8-5-11/h2-5,7-8,10H,6,9H2,1H3
InChIKeyFIMLAPYZTQRTBR-UHFFFAOYSA-N
XLogP2.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone
CID 122143793
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone (CID 52795317) is (5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone is COc1ccc2c(c1)CCN2C(=O)c1ccncc1.
What is the InChIKey of (5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone?
The InChIKey is FIMLAPYZTQRTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-13-2-3-14-12(10-13)6-9-17(14)15(18)11-4-7-16-8-5-11/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of (5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone?
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone has a molecular weight of 254.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 52795317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).