1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

C18H27N5O — CID 118746635

IUPAC1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCN(C)CCn1c2c(ccc1=O)CC(NCc1cnn(C)c1)CC2
InChIInChI=1S/C18H27N5O/c1-21(2)8-9-23-17-6-5-16(10-15(17)4-7-18(23)24)19-11-14-12-20-22(3)13-14/h4,7,12-13,16,19H,5-6,8-11H2,1-3H3
InChIKeyANZUHYVYAIAKOH-UHFFFAOYSA-N
MW329.45 g/mol
LogP0.79
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one

1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118746635) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118746635
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCN(C)CCn1c2c(ccc1=O)CC(NCc1cnn(C)c1)CC2
InChIInChI=1S/C18H27N5O/c1-21(2)8-9-23-17-6-5-16(10-15(17)4-7-18(23)24)19-11-14-12-20-22(3)13-14/h4,7,12-13,16,19H,5-6,8-11H2,1-3H3
InChIKeyANZUHYVYAIAKOH-UHFFFAOYSA-N
XLogP0.79
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one (CID 118746635) is 1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is CN(C)CCn1c2c(ccc1=O)CC(NCc1cnn(C)c1)CC2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is ANZUHYVYAIAKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-21(2)8-9-23-17-6-5-16(10-15(17)4-7-18(23)24)19-11-14-12-20-22(3)13-14/h4,7,12-13,16,19H,5-6,8-11H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one?
1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 329.45 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-6-[(1-methylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118746635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).