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

C21H21N3O3 — CID 91950188

IUPAC6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
SMILESC=CCn1cnc2oc(C)c(C(=O)N3CCCc4cc(C)ccc43)c2c1=O
InChIInChI=1S/C21H21N3O3/c1-4-9-23-12-22-19-18(20(23)25)17(14(3)27-19)21(26)24-10-5-6-15-11-13(2)7-8-16(15)24/h4,7-8,11-12H,1,5-6,9-10H2,2-3H3
InChIKeyXVIHXNIGHYMRRS-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.39
Rot. Bonds3

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

6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one (PubChem CID 91950188) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
PubChem CID91950188
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one
SMILESC=CCn1cnc2oc(C)c(C(=O)N3CCCc4cc(C)ccc43)c2c1=O
InChIInChI=1S/C21H21N3O3/c1-4-9-23-12-22-19-18(20(23)25)17(14(3)27-19)21(26)24-10-5-6-15-11-13(2)7-8-16(15)24/h4,7-8,11-12H,1,5-6,9-10H2,2-3H3
InChIKeyXVIHXNIGHYMRRS-UHFFFAOYSA-N
XLogP3.39
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one (CID 91950188) is 6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one is C=CCn1cnc2oc(C)c(C(=O)N3CCCc4cc(C)ccc43)c2c1=O.
What is the InChIKey of 6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one?
The InChIKey is XVIHXNIGHYMRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-4-9-23-12-22-19-18(20(23)25)17(14(3)27-19)21(26)24-10-5-6-15-11-13(2)7-8-16(15)24/h4,7-8,11-12H,1,5-6,9-10H2,2-3H3.
What are the key properties of 6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one?
6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one has a molecular weight of 363.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-prop-2-enylfuro[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 91950188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).