7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one

C22H30N2O3 — CID 54367409

IUPAC7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one
SMILESCC(C)=CCCC(C)=CCOc1c(OC(C)C)c(=O)[nH]c2cc(N)ccc12
InChIInChI=1S/C22H30N2O3/c1-14(2)7-6-8-16(5)11-12-26-20-18-10-9-17(23)13-19(18)24-22(25)21(20)27-15(3)4/h7,9-11,13,15H,6,8,12,23H2,1-5H3,(H,24,25)
InChIKeyUQSOYFICRWWILC-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.97
Rot. Bonds8

About 7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one

7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one (PubChem CID 54367409) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one
PubChem CID54367409
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one
SMILESCC(C)=CCCC(C)=CCOc1c(OC(C)C)c(=O)[nH]c2cc(N)ccc12
InChIInChI=1S/C22H30N2O3/c1-14(2)7-6-8-16(5)11-12-26-20-18-10-9-17(23)13-19(18)24-22(25)21(20)27-15(3)4/h7,9-11,13,15H,6,8,12,23H2,1-5H3,(H,24,25)
InChIKeyUQSOYFICRWWILC-UHFFFAOYSA-N
XLogP4.97
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one
CID 70251836
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxy-4-propan-2-yloxy-1H-quinolin-2-one
CID 139717017
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-phenylmethoxy-3-propan-2-yloxy-1H-quinolin-2-one
CID 139717823
[7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-2-oxo-1H-quinolin-4-yl] benzoate
CID 54438311
7-(dimethylamino)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-(3-methylbut-2-enoxy)-1H-quinolin-2-one
CID 70251765
3,4-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1H-quinolin-2-one
CID 70252819
3-(3,7-dimethylocta-2,6-dienoxy)-4-(3-methylbut-2-enoxy)-7-nitro-1H-quinolin-2-one
CID 54004925
7-amino-4-(3-methylbut-2-enoxy)-3-(2-methylpentoxy)-1H-quinolin-2-one
CID 23301159
4-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hexoxy-1H-quinolin-2-one
CID 139717318
3-butoxy-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-(ethylamino)-1H-quinolin-2-one
CID 23300175
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxy-4-phenylmethoxy-1H-quinolin-2-one
CID 139717739
4-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-nitro-1H-quinolin-2-one
CID 23301197

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one?
The IUPAC name of 7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one (CID 54367409) is 7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one?
The canonical SMILES for 7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one is CC(C)=CCCC(C)=CCOc1c(OC(C)C)c(=O)[nH]c2cc(N)ccc12.
What is the InChIKey of 7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one?
The InChIKey is UQSOYFICRWWILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-14(2)7-6-8-16(5)11-12-26-20-18-10-9-17(23)13-19(18)24-22(25)21(20)27-15(3)4/h7,9-11,13,15H,6,8,12,23H2,1-5H3,(H,24,25).
What are the key properties of 7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one?
7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one has a molecular weight of 370.49 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(3,7-dimethylocta-2,6-dienoxy)-3-propan-2-yloxy-1H-quinolin-2-one is sourced from PubChem (CID 54367409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).