6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one

C19H20N6O — CID 136544673

IUPAC6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(Nc3ncnc4c3ncn4C3CC3)ccc21
InChIInChI=1S/C19H20N6O/c1-2-24-15-7-4-13(9-12(15)3-8-16(24)26)23-18-17-19(21-10-20-18)25(11-22-17)14-5-6-14/h4,7,9-11,14H,2-3,5-6,8H2,1H3,(H,20,21,23)
InChIKeySSXGDBPNOFHXMC-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.20
Rot. Bonds4

About 6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one

6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one (PubChem CID 136544673) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
PubChem CID136544673
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(Nc3ncnc4c3ncn4C3CC3)ccc21
InChIInChI=1S/C19H20N6O/c1-2-24-15-7-4-13(9-12(15)3-8-16(24)26)23-18-17-19(21-10-20-18)25(11-22-17)14-5-6-14/h4,7,9-11,14H,2-3,5-6,8H2,1H3,(H,20,21,23)
InChIKeySSXGDBPNOFHXMC-UHFFFAOYSA-N
XLogP3.20
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one (CID 136544673) is 6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2cc(Nc3ncnc4c3ncn4C3CC3)ccc21.
What is the InChIKey of 6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
The InChIKey is SSXGDBPNOFHXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-2-24-15-7-4-13(9-12(15)3-8-16(24)26)23-18-17-19(21-10-20-18)25(11-22-17)14-5-6-14/h4,7,9-11,14H,2-3,5-6,8H2,1H3,(H,20,21,23).
What are the key properties of 6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one?
6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 136544673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).