3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol

C29H27N3O2 — CID 58857511

IUPAC3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol
SMILESCN(C)CCC(O)(c1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1)c1ccco1
InChIInChI=1S/C29H27N3O2/c1-32(2)16-14-29(33,28-11-7-17-34-28)23-12-13-26-25(18-23)24(21-8-4-3-5-9-21)19-27(31-26)22-10-6-15-30-20-22/h3-13,15,17-20,33H,14,16H2,1-2H3
InChIKeySJQRUQKAVRRHRN-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.74
Rot. Bonds7

About 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol

3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol (PubChem CID 58857511) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol
PubChem CID58857511
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol
SMILESCN(C)CCC(O)(c1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1)c1ccco1
InChIInChI=1S/C29H27N3O2/c1-32(2)16-14-29(33,28-11-7-17-34-28)23-12-13-26-25(18-23)24(21-8-4-3-5-9-21)19-27(31-26)22-10-6-15-30-20-22/h3-13,15,17-20,33H,14,16H2,1-2H3
InChIKeySJQRUQKAVRRHRN-UHFFFAOYSA-N
XLogP5.74
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol (CID 58857511) is 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol is CN(C)CCC(O)(c1ccc2nc(-c3cccnc3)cc(-c3ccccc3)c2c1)c1ccco1.
What is the InChIKey of 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol?
The InChIKey is SJQRUQKAVRRHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c1-32(2)16-14-29(33,28-11-7-17-34-28)23-12-13-26-25(18-23)24(21-8-4-3-5-9-21)19-27(31-26)22-10-6-15-30-20-22/h3-13,15,17-20,33H,14,16H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol?
3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol has a molecular weight of 449.55 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(furan-2-yl)-1-(4-phenyl-2-pyridin-3-ylquinolin-6-yl)propan-1-ol is sourced from PubChem (CID 58857511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).