5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C20H22N4O2 — CID 16845318

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1N1CCCc3ccccc31)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H22N4O2/c1-4-13-12-21-18-16(19(25)23(3)20(26)22(18)2)17(13)24-11-7-9-14-8-5-6-10-15(14)24/h5-6,8,10,12H,4,7,9,11H2,1-3H3
InChIKeyLFOJPURPSSFHHJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.28
Rot. Bonds2

About 5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845318) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845318
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1N1CCCc3ccccc31)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C20H22N4O2/c1-4-13-12-21-18-16(19(25)23(3)20(26)22(18)2)17(13)24-11-7-9-14-8-5-6-10-15(14)24/h5-6,8,10,12H,4,7,9,11H2,1-3H3
InChIKeyLFOJPURPSSFHHJ-UHFFFAOYSA-N
XLogP2.28
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

7-cyclopropyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 5310183
1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
CID 67553271
5-[bis(2-methoxyethyl)amino]-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845239
[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol
CID 102545819
7-cyclopentyl-5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 16812391
5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845418
2-(3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylpyrimidine-5-carboxamide
CID 109262360
[6-methyl-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-pyridinyl]methanamine
CID 81247869
1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 63735943
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-3-(1,3,5,7-tetramethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)propanamide
CID 20864076
1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide
CID 16840955
N-[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]propanamide
CID 113031855

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 16845318) is 5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCc1cnc2c(c1N1CCCc3ccccc31)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LFOJPURPSSFHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-13-12-21-18-16(19(25)23(3)20(26)22(18)2)17(13)24-11-7-9-14-8-5-6-10-15(14)24/h5-6,8,10,12H,4,7,9,11H2,1-3H3.
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).