(3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

C21H17ClN2O — CID 15956403

IUPAC(3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCC1(C)[C@H](c2ccc3ccccc3n2)[C@@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C21H17ClN2O/c1-20(2)18(17-9-7-12-5-3-4-6-15(12)23-17)21(20)14-11-13(22)8-10-16(14)24-19(21)25/h3-11,18H,1-2H3,(H,24,25)/t18-,21-/m0/s1
InChIKeyKZRAIIODXDVQAW-RXVVDRJESA-N
MW348.83 g/mol
LogP4.90
Rot. Bonds1

About (3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

(3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956403) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is (3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956403
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name(3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCC1(C)[C@H](c2ccc3ccccc3n2)[C@@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C21H17ClN2O/c1-20(2)18(17-9-7-12-5-3-4-6-15(12)23-17)21(20)14-11-13(22)8-10-16(14)24-19(21)25/h3-11,18H,1-2H3,(H,24,25)/t18-,21-/m0/s1
InChIKeyKZRAIIODXDVQAW-RXVVDRJESA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956403) is (3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is CC1(C)[C@H](c2ccc3ccccc3n2)[C@@]12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of (3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is KZRAIIODXDVQAW-RXVVDRJESA-N. The full InChI is InChI=1S/C21H17ClN2O/c1-20(2)18(17-9-7-12-5-3-4-6-15(12)23-17)21(20)14-11-13(22)8-10-16(14)24-19(21)25/h3-11,18H,1-2H3,(H,24,25)/t18-,21-/m0/s1.
What are the key properties of (3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
(3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 348.83 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'S)-5-chloro-2',2'-dimethyl-3'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).