1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

C26H22N2O3 — CID 23999030

IUPAC1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1cccnc1)CC(=O)N2c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H22N2O3/c29-24-10-4-9-23-26(24)22(18-6-5-15-27-17-18)16-25(30)28(23)19-11-13-21(14-12-19)31-20-7-2-1-3-8-20/h1-3,5-8,11-15,17,22H,4,9-10,16H2
InChIKeyYQIKVYYZMWITIW-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.40
Rot. Bonds4

About 1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione

1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (PubChem CID 23999030) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
PubChem CID23999030
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
SMILESO=C1CCCC2=C1C(c1cccnc1)CC(=O)N2c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H22N2O3/c29-24-10-4-9-23-26(24)22(18-6-5-15-27-17-18)16-25(30)28(23)19-11-13-21(14-12-19)31-20-7-2-1-3-8-20/h1-3,5-8,11-15,17,22H,4,9-10,16H2
InChIKeyYQIKVYYZMWITIW-UHFFFAOYSA-N
XLogP5.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione with MolForge

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Related Compounds

4-(2-fluorophenyl)-1-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23943221
1-(3,5-dimethoxyphenyl)-4-pyridin-4-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23887278
4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23743938
1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496733
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23915295
4-(2-chlorophenyl)-1-(4-methoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23831055
4-(2-ethoxyphenyl)-1-(4-ethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23773166
3-[2,5-dioxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzoic acid
CID 23859492
1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23943203
(4R)-4-(2,3-dichlorophenyl)-1-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1266571
(4R)-2-amino-1-(4-fluorophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1249117
(4R)-1-(4-fluorophenyl)-4-(3-nitrophenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 1267162

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The IUPAC name of 1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione (CID 23999030) is 1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione.
What is the SMILES notation for 1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The canonical SMILES for 1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is O=C1CCCC2=C1C(c1cccnc1)CC(=O)N2c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
The InChIKey is YQIKVYYZMWITIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c29-24-10-4-9-23-26(24)22(18-6-5-15-27-17-18)16-25(30)28(23)19-11-13-21(14-12-19)31-20-7-2-1-3-8-20/h1-3,5-8,11-15,17,22H,4,9-10,16H2.
What are the key properties of 1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione?
1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione has a molecular weight of 410.47 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-4-pyridin-3-yl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione is sourced from PubChem (CID 23999030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).