3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one

C19H24N2O — CID 82522528

IUPAC3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(cc(C(N)c3ccccc3)c1=O)CCCC2
InChIInChI=1S/C19H24N2O/c1-2-12-21-17-11-7-6-10-15(17)13-16(19(21)22)18(20)14-8-4-3-5-9-14/h3-5,8-9,13,18H,2,6-7,10-12,20H2,1H3
InChIKeyRXMWGIKVADLEFZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.19
Rot. Bonds4

About 3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one

3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82522528) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82522528
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCn1c2c(cc(C(N)c3ccccc3)c1=O)CCCC2
InChIInChI=1S/C19H24N2O/c1-2-12-21-17-11-7-6-10-15(17)13-16(19(21)22)18(20)14-8-4-3-5-9-14/h3-5,8-9,13,18H,2,6-7,10-12,20H2,1H3
InChIKeyRXMWGIKVADLEFZ-UHFFFAOYSA-N
XLogP3.19
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one (CID 82522528) is 3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one is CCCn1c2c(cc(C(N)c3ccccc3)c1=O)CCCC2.
What is the InChIKey of 3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is RXMWGIKVADLEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-12-21-17-11-7-6-10-15(17)13-16(19(21)22)18(20)14-8-4-3-5-9-14/h3-5,8-9,13,18H,2,6-7,10-12,20H2,1H3.
What are the key properties of 3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one?
3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 296.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(phenyl)methyl]-1-propyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82522528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).