1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one

C22H20N2O2 — CID 71455138

IUPAC1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cccnc3)c(OCc3ccccc3)cc21
InChIInChI=1S/C22H20N2O2/c1-24-20-13-21(26-15-16-6-3-2-4-7-16)19(18-8-5-11-23-14-18)12-17(20)9-10-22(24)25/h2-8,11-14H,9-10,15H2,1H3
InChIKeyMTQBOVPCWAKWKD-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.24
Rot. Bonds4

About 1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one

1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one (PubChem CID 71455138) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one
PubChem CID71455138
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cccnc3)c(OCc3ccccc3)cc21
InChIInChI=1S/C22H20N2O2/c1-24-20-13-21(26-15-16-6-3-2-4-7-16)19(18-8-5-11-23-14-18)12-17(20)9-10-22(24)25/h2-8,11-14H,9-10,15H2,1H3
InChIKeyMTQBOVPCWAKWKD-UHFFFAOYSA-N
XLogP4.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one (CID 71455138) is 1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3cccnc3)c(OCc3ccccc3)cc21.
What is the InChIKey of 1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one?
The InChIKey is MTQBOVPCWAKWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-24-20-13-21(26-15-16-6-3-2-4-7-16)19(18-8-5-11-23-14-18)12-17(20)9-10-22(24)25/h2-8,11-14H,9-10,15H2,1H3.
What are the key properties of 1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one?
1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one has a molecular weight of 344.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-phenylmethoxy-6-pyridin-3-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 71455138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).