N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol

C24H25N3O3 — CID 155587976

IUPACN-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol
SMILESC=C/C=C(\C=C)Cc1cnc2ccc(NC=O)cc2c1.COc1ccnc(C)c1O
InChIInChI=1S/C17H16N2O.C7H9NO2/c1-3-5-13(4-2)8-14-9-15-10-16(19-12-20)6-7-17(15)18-11-14;1-5-7(9)6(10-2)3-4-8-5/h3-7,9-12H,1-2,8H2,(H,19,20);3-4,9H,1-2H3/b13-5+;
InChIKeyXPGPQKRKMZJVKU-CMZQJCRFSA-N
MW403.48 g/mol
LogP4.75
Rot. Bonds7

About N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol

N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol (PubChem CID 155587976) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol.

Molecular Properties

Compound NameN-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol
PubChem CID155587976
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol
SMILESC=C/C=C(\C=C)Cc1cnc2ccc(NC=O)cc2c1.COc1ccnc(C)c1O
InChIInChI=1S/C17H16N2O.C7H9NO2/c1-3-5-13(4-2)8-14-9-15-10-16(19-12-20)6-7-17(15)18-11-14;1-5-7(9)6(10-2)3-4-8-5/h3-7,9-12H,1-2,8H2,(H,19,20);3-4,9H,1-2H3/b13-5+;
InChIKeyXPGPQKRKMZJVKU-CMZQJCRFSA-N
XLogP4.75
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol?
The IUPAC name of N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol (CID 155587976) is N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol.
What is the SMILES notation for N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol?
The canonical SMILES for N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol is C=C/C=C(\C=C)Cc1cnc2ccc(NC=O)cc2c1.COc1ccnc(C)c1O.
What is the InChIKey of N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol?
The InChIKey is XPGPQKRKMZJVKU-CMZQJCRFSA-N. The full InChI is InChI=1S/C17H16N2O.C7H9NO2/c1-3-5-13(4-2)8-14-9-15-10-16(19-12-20)6-7-17(15)18-11-14;1-5-7(9)6(10-2)3-4-8-5/h3-7,9-12H,1-2,8H2,(H,19,20);3-4,9H,1-2H3/b13-5+;.
What are the key properties of N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol?
N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol has a molecular weight of 403.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]quinolin-6-yl]formamide;4-methoxy-2-methylpyridin-3-ol is sourced from PubChem (CID 155587976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).