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

C21H20N4O — CID 154499807

IUPAC(2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine
SMILESN[C@]1(C2CCc3ccccc32)C=Cc2cc(Nc3ncco3)ccc2N1
InChIInChI=1S/C21H20N4O/c22-21(18-7-5-14-3-1-2-4-17(14)18)10-9-15-13-16(6-8-19(15)25-21)24-20-23-11-12-26-20/h1-4,6,8-13,18,25H,5,7,22H2,(H,23,24)/t18?,21-/m1/s1
InChIKeyRMXXOUKJGWTIPU-BDPMCISCSA-N
MW344.42 g/mol
LogP4.24
Rot. Bonds3

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

(2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine (PubChem CID 154499807) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine
PubChem CID154499807
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine
SMILESN[C@]1(C2CCc3ccccc32)C=Cc2cc(Nc3ncco3)ccc2N1
InChIInChI=1S/C21H20N4O/c22-21(18-7-5-14-3-1-2-4-17(14)18)10-9-15-13-16(6-8-19(15)25-21)24-20-23-11-12-26-20/h1-4,6,8-13,18,25H,5,7,22H2,(H,23,24)/t18?,21-/m1/s1
InChIKeyRMXXOUKJGWTIPU-BDPMCISCSA-N
XLogP4.24
TPSA76.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine?
The IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine (CID 154499807) is (2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine?
The canonical SMILES for (2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine is N[C@]1(C2CCc3ccccc32)C=Cc2cc(Nc3ncco3)ccc2N1.
What is the InChIKey of (2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine?
The InChIKey is RMXXOUKJGWTIPU-BDPMCISCSA-N. The full InChI is InChI=1S/C21H20N4O/c22-21(18-7-5-14-3-1-2-4-17(14)18)10-9-15-13-16(6-8-19(15)25-21)24-20-23-11-12-26-20/h1-4,6,8-13,18,25H,5,7,22H2,(H,23,24)/t18?,21-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine?
(2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine has a molecular weight of 344.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1H-inden-1-yl)-6-N-(1,3-oxazol-2-yl)-1H-quinoline-2,6-diamine is sourced from PubChem (CID 154499807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).