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1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide

C26H32N4O3 — CID 177173211

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2cc(-c3ccc(OCC(C)NC)cc3)nc3cc(OC)ccc23)C1
InChIInChI=1S/C26H32N4O3/c1-17(27-2)16-33-20-7-5-18(6-8-20)23-14-25(30-12-11-19(15-30)26(31)28-3)22-10-9-21(32-4)13-24(22)29-23/h5-10,13-14,17,19,27H,11-12,15-16H2,1-4H3,(H,28,31)
InChIKeyIJVHBIWWCAGDDF-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.47
Rot. Bonds8

About 1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide

1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 177173211) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide
PubChem CID177173211
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2cc(-c3ccc(OCC(C)NC)cc3)nc3cc(OC)ccc23)C1
InChIInChI=1S/C26H32N4O3/c1-17(27-2)16-33-20-7-5-18(6-8-20)23-14-25(30-12-11-19(15-30)26(31)28-3)22-10-9-21(32-4)13-24(22)29-23/h5-10,13-14,17,19,27H,11-12,15-16H2,1-4H3,(H,28,31)
InChIKeyIJVHBIWWCAGDDF-UHFFFAOYSA-N
XLogP3.47
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide (CID 177173211) is 1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(c2cc(-c3ccc(OCC(C)NC)cc3)nc3cc(OC)ccc23)C1.
What is the InChIKey of 1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide?
The InChIKey is IJVHBIWWCAGDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-17(27-2)16-33-20-7-5-18(6-8-20)23-14-25(30-12-11-19(15-30)26(31)28-3)22-10-9-21(32-4)13-24(22)29-23/h5-10,13-14,17,19,27H,11-12,15-16H2,1-4H3,(H,28,31).
What are the key properties of 1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide?
1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-2-[4-[2-(methylamino)propoxy]phenyl]quinolin-4-yl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 177173211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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