3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine

C21H23N3 — CID 68640200

IUPAC3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine
SMILESCNCCc1ccc2nc(N)c(C3CCc4ccccc43)cc2c1
InChIInChI=1S/C21H23N3/c1-23-11-10-14-6-9-20-16(12-14)13-19(21(22)24-20)18-8-7-15-4-2-3-5-17(15)18/h2-6,9,12-13,18,23H,7-8,10-11H2,1H3,(H2,22,24)
InChIKeyUKWOADDGTDMMCH-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.66
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine

3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine (PubChem CID 68640200) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine
PubChem CID68640200
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine
SMILESCNCCc1ccc2nc(N)c(C3CCc4ccccc43)cc2c1
InChIInChI=1S/C21H23N3/c1-23-11-10-14-6-9-20-16(12-14)13-19(21(22)24-20)18-8-7-15-4-2-3-5-17(15)18/h2-6,9,12-13,18,23H,7-8,10-11H2,1H3,(H2,22,24)
InChIKeyUKWOADDGTDMMCH-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine
CID 68914930
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(4-methylpyrimidin-2-yl)quinoline-2,6-diamine
CID 68918785
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine
CID 68914516
6-(aminomethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]quinolin-2-amine
CID 68628477
2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine
CID 14401683
4-(2,3-dihydro-1H-inden-1-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65403941
1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 65403490
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 65408606
2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 65404630
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
CID 115104867
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
CID 140627468
2-[(1R)-2,3-dihydro-1H-inden-1-yl]phenol
CID 86317176

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine (CID 68640200) is 3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine is CNCCc1ccc2nc(N)c(C3CCc4ccccc43)cc2c1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine?
The InChIKey is UKWOADDGTDMMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-23-11-10-14-6-9-20-16(12-14)13-19(21(22)24-20)18-8-7-15-4-2-3-5-17(15)18/h2-6,9,12-13,18,23H,7-8,10-11H2,1H3,(H2,22,24).
What are the key properties of 3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine?
3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine has a molecular weight of 317.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine is sourced from PubChem (CID 68640200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).