6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one

C20H28N4O2 — CID 86818901

IUPAC6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one
SMILESCOCN1C(=O)CCc2cc(NCc3cn(C)nc3C(C)(C)C)ccc21
InChIInChI=1S/C20H28N4O2/c1-20(2,3)19-15(12-23(4)22-19)11-21-16-7-8-17-14(10-16)6-9-18(25)24(17)13-26-5/h7-8,10,12,21H,6,9,11,13H2,1-5H3
InChIKeyUCSGUUUBTPFCFV-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.21
Rot. Bonds5

About 6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one

6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one (PubChem CID 86818901) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one
PubChem CID86818901
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one
SMILESCOCN1C(=O)CCc2cc(NCc3cn(C)nc3C(C)(C)C)ccc21
InChIInChI=1S/C20H28N4O2/c1-20(2,3)19-15(12-23(4)22-19)11-21-16-7-8-17-14(10-16)6-9-18(25)24(17)13-26-5/h7-8,10,12,21H,6,9,11,13H2,1-5H3
InChIKeyUCSGUUUBTPFCFV-UHFFFAOYSA-N
XLogP3.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one (CID 86818901) is 6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one is COCN1C(=O)CCc2cc(NCc3cn(C)nc3C(C)(C)C)ccc21.
What is the InChIKey of 6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is UCSGUUUBTPFCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(2,3)19-15(12-23(4)22-19)11-21-16-7-8-17-14(10-16)6-9-18(25)24(17)13-26-5/h7-8,10,12,21H,6,9,11,13H2,1-5H3.
What are the key properties of 6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one?
6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 356.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-1-(methoxymethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86818901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).