N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide

C25H23N3O3 — CID 140531572

IUPACN-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide
SMILESCCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ncccc1O
InChIInChI=1S/C25H23N3O3/c1-3-18(23-20(29)14-9-15-26-23)28-25(30)21-17-12-7-8-13-19(17)27-22(24(21)31-2)16-10-5-4-6-11-16/h4-15,18,29H,3H2,1-2H3,(H,28,30)
InChIKeyFEBDWFGEKIAOEO-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.89
Rot. Bonds6

About N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide

N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide (PubChem CID 140531572) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide
PubChem CID140531572
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide
SMILESCCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ncccc1O
InChIInChI=1S/C25H23N3O3/c1-3-18(23-20(29)14-9-15-26-23)28-25(30)21-17-12-7-8-13-19(17)27-22(24(21)31-2)16-10-5-4-6-11-16/h4-15,18,29H,3H2,1-2H3,(H,28,30)
InChIKeyFEBDWFGEKIAOEO-UHFFFAOYSA-N
XLogP4.89
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide (CID 140531572) is N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide is CCC(NC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ncccc1O.
What is the InChIKey of N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide?
The InChIKey is FEBDWFGEKIAOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-3-18(23-20(29)14-9-15-26-23)28-25(30)21-17-12-7-8-13-19(17)27-22(24(21)31-2)16-10-5-4-6-11-16/h4-15,18,29H,3H2,1-2H3,(H,28,30).
What are the key properties of N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide?
N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxy-2-pyridinyl)propyl]-3-methoxy-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 140531572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).