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

C19H13ClN2O — CID 15956392

IUPAC(2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc2ccccc2n1
InChIInChI=1S/C19H13ClN2O/c20-12-6-8-16-13(9-12)19(18(23)22-16)10-14(19)17-7-5-11-3-1-2-4-15(11)21-17/h1-9,14H,10H2,(H,22,23)/t14-,19-/m1/s1
InChIKeyMKZXULCKOFGCET-AUUYWEPGSA-N
MW320.78 g/mol
LogP4.27
Rot. Bonds1

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

(2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956392) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956392
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name(2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc2ccccc2n1
InChIInChI=1S/C19H13ClN2O/c20-12-6-8-16-13(9-12)19(18(23)22-16)10-14(19)17-7-5-11-3-1-2-4-15(11)21-17/h1-9,14H,10H2,(H,22,23)/t14-,19-/m1/s1
InChIKeyMKZXULCKOFGCET-AUUYWEPGSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

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Related Compounds

EX 527
CID 5113032
(6S)-2-Chloro-5,6,7,8,9,10-hexahydro-cyclohept[b]indole-6-carboxamide
CID 914268
(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707029
2-Chloro-5,6,7,8,9,10-hexahydrocyclohepta(b)indole-6-carboxamide
CID 3612016
9-Chloro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 383785
11-Chloro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 383786
5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 3721490
(5-chloro-1H-indol-2-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
CID 4975679
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-cyclopropylmethyl-piperazin-1-yl)-propan-1-one
CID 44333607
1-(4-Acetyl-4-phenyl-piperidin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-propan-1-one
CID 44334107
2-(3-chlorophenyl)-N-cyclopropyl-3-methyl-4-quinolinecarboxamide
CID 841557
(R)-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 707032

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956392) is (2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccc2ccccc2n1.
What is the InChIKey of (2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is MKZXULCKOFGCET-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-12-6-8-16-13(9-12)19(18(23)22-16)10-14(19)17-7-5-11-3-1-2-4-15(11)21-17/h1-9,14H,10H2,(H,22,23)/t14-,19-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 320.78 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-5-chloro-2'-quinolin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).