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

C17H18N4O — CID 166204131

IUPAC6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(Nc3ccnc(C4CC4)n3)ccc21
InChIInChI=1S/C17H18N4O/c1-21-14-6-5-13(10-12(14)4-7-16(21)22)19-15-8-9-18-17(20-15)11-2-3-11/h5-6,8-11H,2-4,7H2,1H3,(H,18,19,20)
InChIKeyDMCOWTGTEDDMTL-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.01
Rot. Bonds3

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

6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 166204131) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID166204131
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(Nc3ccnc(C4CC4)n3)ccc21
InChIInChI=1S/C17H18N4O/c1-21-14-6-5-13(10-12(14)4-7-16(21)22)19-15-8-9-18-17(20-15)11-2-3-11/h5-6,8-11H,2-4,7H2,1H3,(H,18,19,20)
InChIKeyDMCOWTGTEDDMTL-UHFFFAOYSA-N
XLogP3.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one (CID 166204131) is 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(Nc3ccnc(C4CC4)n3)ccc21.
What is the InChIKey of 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is DMCOWTGTEDDMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-21-14-6-5-13(10-12(14)4-7-16(21)22)19-15-8-9-18-17(20-15)11-2-3-11/h5-6,8-11H,2-4,7H2,1H3,(H,18,19,20).
What are the key properties of 6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one?
6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 294.36 g/mol, XLogP of 3.01, 3 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-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 166204131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).