1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one

C17H29N3O — CID 114525868

IUPAC1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCNC1CCCc2c1ccc(=O)n2CCCN(C)C
InChIInChI=1S/C17H29N3O/c1-4-11-18-15-7-5-8-16-14(15)9-10-17(21)20(16)13-6-12-19(2)3/h9-10,15,18H,4-8,11-13H2,1-3H3
InChIKeyWBHAHXGYGLQADS-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.18
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one

1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 114525868) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID114525868
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCNC1CCCc2c1ccc(=O)n2CCCN(C)C
InChIInChI=1S/C17H29N3O/c1-4-11-18-15-7-5-8-16-14(15)9-10-17(21)20(16)13-6-12-19(2)3/h9-10,15,18H,4-8,11-13H2,1-3H3
InChIKeyWBHAHXGYGLQADS-UHFFFAOYSA-N
XLogP2.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one (CID 114525868) is 1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one is CCCNC1CCCc2c1ccc(=O)n2CCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is WBHAHXGYGLQADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-11-18-15-7-5-8-16-14(15)9-10-17(21)20(16)13-6-12-19(2)3/h9-10,15,18H,4-8,11-13H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one?
1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 291.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 114525868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).