3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine

C22H20N4O — CID 68914930

IUPAC3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine
SMILESCc1cc(Nc2ccc3nc(N)c([C@@H]4CCc5ccccc54)cc3c2)no1
InChIInChI=1S/C22H20N4O/c1-13-10-21(26-27-13)24-16-7-9-20-15(11-16)12-19(22(23)25-20)18-8-6-14-4-2-3-5-17(14)18/h2-5,7,9-12,18H,6,8H2,1H3,(H2,23,25)(H,24,26)/t18-/m1/s1
InChIKeyYRVXJUJNGQHBRD-GOSISDBHSA-N
MW356.43 g/mol
LogP4.94
Rot. Bonds3

About 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine

3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine (PubChem CID 68914930) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine.

Molecular Properties

Compound Name3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine
PubChem CID68914930
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine
SMILESCc1cc(Nc2ccc3nc(N)c([C@@H]4CCc5ccccc54)cc3c2)no1
InChIInChI=1S/C22H20N4O/c1-13-10-21(26-27-13)24-16-7-9-20-15(11-16)12-19(22(23)25-20)18-8-6-14-4-2-3-5-17(14)18/h2-5,7,9-12,18H,6,8H2,1H3,(H2,23,25)(H,24,26)/t18-/m1/s1
InChIKeyYRVXJUJNGQHBRD-GOSISDBHSA-N
XLogP4.94
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine with MolForge

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Related Compounds

3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-[6-(trifluoromethyl)-2-pyridinyl]quinoline-2,6-diamine
CID 68914516
3-(2,3-dihydro-1H-inden-1-yl)-6-[2-(methylamino)ethyl]quinolin-2-amine
CID 68640200
2,4-bis(2,3-dihydro-1H-inden-1-yl)-6-methylbenzene-1,3-diamine
CID 14401683
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 65408606
2-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79791105
[6-cyclopropyl-2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]hydrazine
CID 65404645
5-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 65407456
(1R)-1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899514
1-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65408598
6-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65406681
2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 65404630
4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide
CID 116648134

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine?
The IUPAC name of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine (CID 68914930) is 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine.
What is the SMILES notation for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine?
The canonical SMILES for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine is Cc1cc(Nc2ccc3nc(N)c([C@@H]4CCc5ccccc54)cc3c2)no1.
What is the InChIKey of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine?
The InChIKey is YRVXJUJNGQHBRD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20N4O/c1-13-10-21(26-27-13)24-16-7-9-20-15(11-16)12-19(22(23)25-20)18-8-6-14-4-2-3-5-17(14)18/h2-5,7,9-12,18H,6,8H2,1H3,(H2,23,25)(H,24,26)/t18-/m1/s1.
What are the key properties of 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine?
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine has a molecular weight of 356.43 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-N-(5-methyl-1,2-oxazol-3-yl)quinoline-2,6-diamine is sourced from PubChem (CID 68914930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).