7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one

C25H29N5O4 — CID 146317243

IUPAC7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one
SMILESCNC(CCCCCC(=O)c1ncco1)c1ncc(-c2cc3ccc(=O)n(C)c3cc2OC)[nH]1
InChIInChI=1S/C25H29N5O4/c1-26-18(7-5-4-6-8-21(31)25-27-11-12-34-25)24-28-15-19(29-24)17-13-16-9-10-23(32)30(2)20(16)14-22(17)33-3/h9-15,18,26H,4-8H2,1-3H3,(H,28,29)
InChIKeyWIBVFQMKEMIZIW-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.02
Rot. Bonds11

About 7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one

7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one (PubChem CID 146317243) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one
PubChem CID146317243
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one
SMILESCNC(CCCCCC(=O)c1ncco1)c1ncc(-c2cc3ccc(=O)n(C)c3cc2OC)[nH]1
InChIInChI=1S/C25H29N5O4/c1-26-18(7-5-4-6-8-21(31)25-27-11-12-34-25)24-28-15-19(29-24)17-13-16-9-10-23(32)30(2)20(16)14-22(17)33-3/h9-15,18,26H,4-8H2,1-3H3,(H,28,29)
InChIKeyWIBVFQMKEMIZIW-UHFFFAOYSA-N
XLogP4.02
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-1-methyl-6-[2-[7-(1,3-oxazol-2-yl)nona-7,8-dienyl]-1H-imidazol-5-yl]quinolin-2-one
CID 153400014
7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
CID 146317156
N-[1-[5-(7-methoxy-2-methylquinolin-6-yl)-1H-imidazol-2-yl]-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 166721873
8-(cyclopropylmethyl)-N-[(1S)-1-[5-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 162506784
(7S)-7-(ethylamino)-7-[5-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one;hydrochloride
CID 146317545
(7S)-7-[(1-methylpiperidin-4-yl)amino]-7-[5-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
CID 157335012
2-(dimethylamino)-N-[1-[5-(2-ethyl-7-methoxy-1-oxoisoquinolin-6-yl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
CID 146317135
2-(dimethylamino)-N-[(1S)-1-[5-(2-ethyl-7-methoxy-1-oxoisoquinolin-6-yl)-1H-imidazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]acetamide
CID 146317134
4-[(2S)-2-amino-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]ethoxy]-1-(1,3-oxazol-2-yl)butan-1-one;4-[(2R)-2-amino-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]ethoxy]-1-(1,3-oxazol-2-yl)butan-1-one
CID 164997852
(7S)-7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 146317146
3-(4-hydroxypiperidin-4-yl)-2-imino-N-[(1S)-1-[5-(7-methoxy-1-methyl-2-oxoquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]propanamide
CID 162506568
N-[(1S)-1-[5-[2-methoxy-7-(1,3-oxazol-2-yl)quinolin-3-yl]-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162506708

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one?
The IUPAC name of 7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one (CID 146317243) is 7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one.
What is the SMILES notation for 7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one?
The canonical SMILES for 7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one is CNC(CCCCCC(=O)c1ncco1)c1ncc(-c2cc3ccc(=O)n(C)c3cc2OC)[nH]1.
What is the InChIKey of 7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one?
The InChIKey is WIBVFQMKEMIZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-26-18(7-5-4-6-8-21(31)25-27-11-12-34-25)24-28-15-19(29-24)17-13-16-9-10-23(32)30(2)20(16)14-22(17)33-3/h9-15,18,26H,4-8H2,1-3H3,(H,28,29).
What are the key properties of 7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one?
7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one has a molecular weight of 463.54 g/mol, XLogP of 4.02, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-6-[2-[1-(methylamino)-7-(1,3-oxazol-2-yl)-7-oxoheptyl]-1H-imidazol-5-yl]quinolin-2-one is sourced from PubChem (CID 146317243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).