7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one

C23H25N5O3 — CID 146317156

IUPAC7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
SMILESCOc1cc2ncccc2cc1-c1cnc(C(N)CCCCCC(=O)c2ncco2)[nH]1
InChIInChI=1S/C23H25N5O3/c1-30-21-13-18-15(6-5-9-25-18)12-16(21)19-14-27-22(28-19)17(24)7-3-2-4-8-20(29)23-26-10-11-31-23/h5-6,9-14,17H,2-4,7-8,24H2,1H3,(H,27,28)
InChIKeyQLBWVAKBXBGPAX-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.45
Rot. Bonds10

About 7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one

7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one (PubChem CID 146317156) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one.

Molecular Properties

Compound Name7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
PubChem CID146317156
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one
SMILESCOc1cc2ncccc2cc1-c1cnc(C(N)CCCCCC(=O)c2ncco2)[nH]1
InChIInChI=1S/C23H25N5O3/c1-30-21-13-18-15(6-5-9-25-18)12-16(21)19-14-27-22(28-19)17(24)7-3-2-4-8-20(29)23-26-10-11-31-23/h5-6,9-14,17H,2-4,7-8,24H2,1H3,(H,27,28)
InChIKeyQLBWVAKBXBGPAX-UHFFFAOYSA-N
XLogP4.45
TPSA119.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(7S)-7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
CID 146317146
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
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
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
(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-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-(3-morpholin-4-ylpropanoylamino)heptanamide
CID 90149160
7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-[(2-pyrazin-2-ylacetyl)amino]heptanamide
CID 144617487
N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]formamide
CID 166912612
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
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
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
(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

Frequently Asked Questions

What is the IUPAC name of 7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The IUPAC name of 7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one (CID 146317156) is 7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one.
What is the SMILES notation for 7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The canonical SMILES for 7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one is COc1cc2ncccc2cc1-c1cnc(C(N)CCCCCC(=O)c2ncco2)[nH]1.
What is the InChIKey of 7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
The InChIKey is QLBWVAKBXBGPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-30-21-13-18-15(6-5-9-25-18)12-16(21)19-14-27-22(28-19)17(24)7-3-2-4-8-20(29)23-26-10-11-31-23/h5-6,9-14,17H,2-4,7-8,24H2,1H3,(H,27,28).
What are the key properties of 7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one?
7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one has a molecular weight of 419.49 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-7-[5-(7-methoxyquinolin-6-yl)-1H-imidazol-2-yl]-1-(1,3-oxazol-2-yl)heptan-1-one is sourced from PubChem (CID 146317156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).