3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol

C19H21N3O2 — CID 10236713

IUPAC3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol
SMILESCN(C)c1ccc(-c2cc3ncccc3c(OCCCO)n2)cc1
InChIInChI=1S/C19H21N3O2/c1-22(2)15-8-6-14(7-9-15)17-13-18-16(5-3-10-20-18)19(21-17)24-12-4-11-23/h3,5-10,13,23H,4,11-12H2,1-2H3
InChIKeySRIMUSIXGQNFAF-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.12
Rot. Bonds6

About 3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol

3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol (PubChem CID 10236713) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol
PubChem CID10236713
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol
SMILESCN(C)c1ccc(-c2cc3ncccc3c(OCCCO)n2)cc1
InChIInChI=1S/C19H21N3O2/c1-22(2)15-8-6-14(7-9-15)17-13-18-16(5-3-10-20-18)19(21-17)24-12-4-11-23/h3,5-10,13,23H,4,11-12H2,1-2H3
InChIKeySRIMUSIXGQNFAF-UHFFFAOYSA-N
XLogP3.12
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol?
The IUPAC name of 3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol (CID 10236713) is 3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol?
The canonical SMILES for 3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol is CN(C)c1ccc(-c2cc3ncccc3c(OCCCO)n2)cc1.
What is the InChIKey of 3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol?
The InChIKey is SRIMUSIXGQNFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-22(2)15-8-6-14(7-9-15)17-13-18-16(5-3-10-20-18)19(21-17)24-12-4-11-23/h3,5-10,13,23H,4,11-12H2,1-2H3.
What are the key properties of 3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol?
3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol has a molecular weight of 323.40 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[4-(dimethylamino)phenyl]-1,6-naphthyridin-5-yl]oxy]propan-1-ol is sourced from PubChem (CID 10236713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).