1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one

C16H24N2O2 — CID 43771415

IUPAC1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one
SMILESCC(C)OCCCNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C16H24N2O2/c1-12(2)20-10-6-9-17-14-11-16(19)18(3)15-8-5-4-7-13(14)15/h4-5,7-8,12,14,17H,6,9-11H2,1-3H3
InChIKeyQKVZROMCBFBJCU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds6

About 1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one

1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one (PubChem CID 43771415) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one
PubChem CID43771415
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one
SMILESCC(C)OCCCNC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C16H24N2O2/c1-12(2)20-10-6-9-17-14-11-16(19)18(3)15-8-5-4-7-13(14)15/h4-5,7-8,12,14,17H,6,9-11H2,1-3H3
InChIKeyQKVZROMCBFBJCU-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one (CID 43771415) is 1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one is CC(C)OCCCNC1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one?
The InChIKey is QKVZROMCBFBJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)20-10-6-9-17-14-11-16(19)18(3)15-8-5-4-7-13(14)15/h4-5,7-8,12,14,17H,6,9-11H2,1-3H3.
What are the key properties of 1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one?
1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propan-2-yloxypropylamino)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43771415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).