6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one

C18H20N4O — CID 133459397

IUPAC6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(Nc3ccnc(C4CC4)n3)ccc21
InChIInChI=1S/C18H20N4O/c1-2-22-15-7-6-14(11-13(15)5-8-17(22)23)20-16-9-10-19-18(21-16)12-3-4-12/h6-7,9-12H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyRSFDMYIJBMATIK-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.40
Rot. Bonds4

About 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one

6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one (PubChem CID 133459397) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
PubChem CID133459397
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(Nc3ccnc(C4CC4)n3)ccc21
InChIInChI=1S/C18H20N4O/c1-2-22-15-7-6-14(11-13(15)5-8-17(22)23)20-16-9-10-19-18(21-16)12-3-4-12/h6-7,9-12H,2-5,8H2,1H3,(H,19,20,21)
InChIKeyRSFDMYIJBMATIK-UHFFFAOYSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 166204131
6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 133459310
1-ethyl-6-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3,4-dihydroquinolin-2-one
CID 133459295
1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
CID 133459382
1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
CID 133459392
6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 136544673
1-ethyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
CID 133459327
6-[(4-amino-5-nitropyrimidin-2-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 133459303
1-ethyl-6-(4-pyrazol-1-ylbutan-2-ylamino)-3,4-dihydroquinolin-2-one
CID 75506681
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
2-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608537
1-ethyl-6-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]-3,4-dihydroquinolin-2-one
CID 68666420

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one (CID 133459397) is 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2cc(Nc3ccnc(C4CC4)n3)ccc21.
What is the InChIKey of 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
The InChIKey is RSFDMYIJBMATIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-22-15-7-6-14(11-13(15)5-8-17(22)23)20-16-9-10-19-18(21-16)12-3-4-12/h6-7,9-12H,2-5,8H2,1H3,(H,19,20,21).
What are the key properties of 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 133459397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).