1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C26H26FN3O — CID 53323805

IUPAC1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(F)c1
InChIInChI=1S/C26H26FN3O/c27-24-15-23(30-11-3-6-19-12-20(26(28)31)8-10-25(19)30)9-7-21(24)16-29-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,29H,3,6,11,13-14,16H2,(H2,28,31)
InChIKeyWXVWWJSTSHLJIZ-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.27
Rot. Bonds5

About 1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 53323805) has the molecular formula C26H26FN3O and a molecular weight of 415.51 g/mol. Its IUPAC name is 1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID53323805
Molecular FormulaC26H26FN3O
Molecular Weight415.51 g/mol
Exact Mass415.21
IUPAC Name1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESNC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(F)c1
InChIInChI=1S/C26H26FN3O/c27-24-15-23(30-11-3-6-19-12-20(26(28)31)8-10-25(19)30)9-7-21(24)16-29-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,29H,3,6,11,13-14,16H2,(H2,28,31)
InChIKeyWXVWWJSTSHLJIZ-UHFFFAOYSA-N
XLogP4.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Related Compounds

3-chloro-4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
CID 24945882
4-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2,5-difluorophenyl]-3-methylbenzamide
CID 24945881
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-4-fluorophenyl]benzamide;hydrochloride
CID 68604408
2-chloro-3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]benzamide
CID 59316490
1-[4-[(2-methylpropylamino)methyl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 53321111
3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-2-fluorophenyl]benzamide;hydrochloride
CID 68603662
3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 63043343
3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-(trifluoromethyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 87512737
3-amino-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 43375573
3-[(6-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]-4-fluorobenzamide
CID 43823759
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorobenzamide
CID 43652118

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 53323805) is 1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide is NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)c(F)c1.
What is the InChIKey of 1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is WXVWWJSTSHLJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O/c27-24-15-23(30-11-3-6-19-12-20(26(28)31)8-10-25(19)30)9-7-21(24)16-29-22-13-17-4-1-2-5-18(17)14-22/h1-2,4-5,7-10,12,15,22,29H,3,6,11,13-14,16H2,(H2,28,31).
What are the key properties of 1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-fluorophenyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 53323805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).