1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol

C23H31FN2O — CID 70883586

IUPAC1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
SMILESCCCc1ccc(NCc2ccc3c(c2C)N(CC(C)O)CCC3)cc1F
InChIInChI=1S/C23H31FN2O/c1-4-6-18-10-11-21(13-22(18)24)25-14-20-9-8-19-7-5-12-26(15-16(2)27)23(19)17(20)3/h8-11,13,16,25,27H,4-7,12,14-15H2,1-3H3
InChIKeyRSBIKKPUTMDIME-UHFFFAOYSA-N
MW370.51 g/mol
LogP4.83
Rot. Bonds7

About 1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol

1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol (PubChem CID 70883586) has the molecular formula C23H31FN2O and a molecular weight of 370.51 g/mol. Its IUPAC name is 1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
PubChem CID70883586
Molecular FormulaC23H31FN2O
Molecular Weight370.51 g/mol
Exact Mass370.24
IUPAC Name1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol
SMILESCCCc1ccc(NCc2ccc3c(c2C)N(CC(C)O)CCC3)cc1F
InChIInChI=1S/C23H31FN2O/c1-4-6-18-10-11-21(13-22(18)24)25-14-20-9-8-19-7-5-12-26(15-16(2)27)23(19)17(20)3/h8-11,13,16,25,27H,4-7,12,14-15H2,1-3H3
InChIKeyRSBIKKPUTMDIME-UHFFFAOYSA-N
XLogP4.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol?
The IUPAC name of 1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol (CID 70883586) is 1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol?
The canonical SMILES for 1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol is CCCc1ccc(NCc2ccc3c(c2C)N(CC(C)O)CCC3)cc1F.
What is the InChIKey of 1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol?
The InChIKey is RSBIKKPUTMDIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O/c1-4-6-18-10-11-21(13-22(18)24)25-14-20-9-8-19-7-5-12-26(15-16(2)27)23(19)17(20)3/h8-11,13,16,25,27H,4-7,12,14-15H2,1-3H3.
What are the key properties of 1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol?
1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol has a molecular weight of 370.51 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(3-fluoro-4-propylanilino)methyl]-8-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol is sourced from PubChem (CID 70883586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).