5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione

C21H19N3O4 — CID 3236506

IUPAC5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCCc4ccccc43)c2=O)cc1
InChIInChI=1S/C21H19N3O4/c1-28-16-10-8-15(9-11-16)24-20(26)17(13-22-21(24)27)19(25)23-12-4-6-14-5-2-3-7-18(14)23/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,27)
InChIKeyYPQOZAMEJRUNLC-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.13
Rot. Bonds3

About 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 3236506) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
PubChem CID3236506
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCCc4ccccc43)c2=O)cc1
InChIInChI=1S/C21H19N3O4/c1-28-16-10-8-15(9-11-16)24-20(26)17(13-22-21(24)27)19(25)23-12-4-6-14-5-2-3-7-18(14)23/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,27)
InChIKeyYPQOZAMEJRUNLC-UHFFFAOYSA-N
XLogP2.13
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(6-methoxy-1H-indol-3-yl)methanone
CID 113206601
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one
CID 5262372
3,4-dihydro-2H-quinolin-1-yl-(4,5,6-trimethoxy-1H-indol-3-yl)methanone
CID 113206780
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 20855993
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5142971
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7215319

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione (CID 3236506) is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione is COc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCCc4ccccc43)c2=O)cc1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is YPQOZAMEJRUNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-28-16-10-8-15(9-11-16)24-20(26)17(13-22-21(24)27)19(25)23-12-4-6-14-5-2-3-7-18(14)23/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,27).
What are the key properties of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione?
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 377.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3236506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).