5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one

C18H17N3O3 — CID 20925098

IUPAC5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H17N3O3/c1-11-14(15-16(24-11)19-10-20(2)17(15)22)18(23)21-9-5-7-12-6-3-4-8-13(12)21/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyWTQOIXNZKKQHSH-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.43
Rot. Bonds1

About 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one (PubChem CID 20925098) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
PubChem CID20925098
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H17N3O3/c1-11-14(15-16(24-11)19-10-20(2)17(15)22)18(23)21-9-5-7-12-6-3-4-8-13(12)21/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyWTQOIXNZKKQHSH-UHFFFAOYSA-N
XLogP2.43
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
CID 91950188
3,4-dihydro-2H-quinolin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 110682720
5-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 53209286
N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 55688895
6-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119135835
3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 43582708
3,6-dimethyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]furo[2,3-d]pyrimidin-4-one
CID 55683104
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-3-carboxylic acid
CID 117218335
3,4-dihydro-2H-quinolin-1-yl-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 110684715
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4-phenyl-1,2-oxazol-5-one
CID 110680888
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one (CID 20925098) is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one is Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one?
The InChIKey is WTQOIXNZKKQHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-14(15-16(24-11)19-10-20(2)17(15)22)18(23)21-9-5-7-12-6-3-4-8-13(12)21/h3-4,6,8,10H,5,7,9H2,1-2H3.
What are the key properties of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one?
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one has a molecular weight of 323.35 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 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)-3,6-dimethylfuro[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 20925098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).