3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol

C25H26N2O2 — CID 58281422

IUPAC3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol
SMILESCc1cc(-c2ccccc2)c2cc(C(O)(CCN(C)C)c3ccco3)ccc2n1
InChIInChI=1S/C25H26N2O2/c1-18-16-21(19-8-5-4-6-9-19)22-17-20(11-12-23(22)26-18)25(28,13-14-27(2)3)24-10-7-15-29-24/h4-12,15-17,28H,13-14H2,1-3H3
InChIKeyVPJCBGRBYWSVEU-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.99
Rot. Bonds6

About 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol

3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol (PubChem CID 58281422) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol
PubChem CID58281422
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol
SMILESCc1cc(-c2ccccc2)c2cc(C(O)(CCN(C)C)c3ccco3)ccc2n1
InChIInChI=1S/C25H26N2O2/c1-18-16-21(19-8-5-4-6-9-19)22-17-20(11-12-23(22)26-18)25(28,13-14-27(2)3)24-10-7-15-29-24/h4-12,15-17,28H,13-14H2,1-3H3
InChIKeyVPJCBGRBYWSVEU-UHFFFAOYSA-N
XLogP4.99
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol?
The IUPAC name of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol (CID 58281422) is 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol?
The canonical SMILES for 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol is Cc1cc(-c2ccccc2)c2cc(C(O)(CCN(C)C)c3ccco3)ccc2n1.
What is the InChIKey of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol?
The InChIKey is VPJCBGRBYWSVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18-16-21(19-8-5-4-6-9-19)22-17-20(11-12-23(22)26-18)25(28,13-14-27(2)3)24-10-7-15-29-24/h4-12,15-17,28H,13-14H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol?
3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol has a molecular weight of 386.50 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(furan-2-yl)-1-(2-methyl-4-phenylquinolin-6-yl)propan-1-ol is sourced from PubChem (CID 58281422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).