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

C18H19ClN4O — CID 133459310

IUPAC6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(Nc3cc(Cl)nc(C4CC4)n3)ccc21
InChIInChI=1S/C18H19ClN4O/c1-2-23-14-7-6-13(9-12(14)5-8-17(23)24)20-16-10-15(19)21-18(22-16)11-3-4-11/h6-7,9-11H,2-5,8H2,1H3,(H,20,21,22)
InChIKeyLXSGFLQGHLGTPS-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.05
Rot. Bonds4

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

6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one (PubChem CID 133459310) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
PubChem CID133459310
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(Nc3cc(Cl)nc(C4CC4)n3)ccc21
InChIInChI=1S/C18H19ClN4O/c1-2-23-14-7-6-13(9-12(14)5-8-17(23)24)20-16-10-15(19)21-18(22-16)11-3-4-11/h6-7,9-11H,2-5,8H2,1H3,(H,20,21,22)
InChIKeyLXSGFLQGHLGTPS-UHFFFAOYSA-N
XLogP4.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 133459397
1-ethyl-6-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3,4-dihydroquinolin-2-one
CID 133459295
6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
CID 166204131
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
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]benzonitrile
CID 80949261
1-ethyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
CID 133459327
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 80948296
6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 136544673
2-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608537
6-chloro-2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-amine
CID 80945775

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one (CID 133459310) is 6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2cc(Nc3cc(Cl)nc(C4CC4)n3)ccc21.
What is the InChIKey of 6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
The InChIKey is LXSGFLQGHLGTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-2-23-14-7-6-13(9-12(14)5-8-17(23)24)20-16-10-15(19)21-18(22-16)11-3-4-11/h6-7,9-11H,2-5,8H2,1H3,(H,20,21,22).
What are the key properties of 6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one has a molecular weight of 342.83 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 133459310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).