[8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone

C25H25N3O2 — CID 175885076

IUPAC[8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone
SMILES[2H]C1c2ccc(-c3cccc4cc(C(=O)N5CCOCC5)cnc34)cc2C2(CC2)N1C
InChIInChI=1S/C25H25N3O2/c1-27-16-19-6-5-17(14-22(19)25(27)7-8-25)21-4-2-3-18-13-20(15-26-23(18)21)24(29)28-9-11-30-12-10-28/h2-6,13-15H,7-12,16H2,1H3/i16D
InChIKeyXEIUGRHKHLMASR-QNLPYAOMSA-N
MW400.50 g/mol
LogP3.81
Rot. Bonds2

About [8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone

[8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 175885076) has the molecular formula C25H25N3O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is [8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID175885076
Molecular FormulaC25H25N3O2
Molecular Weight400.50 g/mol
Exact Mass400.20
IUPAC Name[8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone
SMILES[2H]C1c2ccc(-c3cccc4cc(C(=O)N5CCOCC5)cnc34)cc2C2(CC2)N1C
InChIInChI=1S/C25H25N3O2/c1-27-16-19-6-5-17(14-22(19)25(27)7-8-25)21-4-2-3-18-13-20(15-26-23(18)21)24(29)28-9-11-30-12-10-28/h2-6,13-15H,7-12,16H2,1H3/i16D
InChIKeyXEIUGRHKHLMASR-QNLPYAOMSA-N
XLogP3.81
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-1,2-benzoxazol-3-one
CID 154667127
6-[3-(4,4-difluoropiperidine-1-carbonyl)quinolin-8-yl]-2-methyl-[1,2]oxazolo[4,5-b]pyridin-3-one
CID 176733505
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126
[3-(4-oxa-7-azaspiro[2.5]octane-7-carbonyl)quinolin-8-yl]boronic acid
CID 174108504
[2-methyl-4-[8-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 46885234
[2-methyl-4-[3-(4-morpholin-4-ylphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59392747
(8-methoxyquinolin-3-yl)-pyrrolidin-1-ylmethanone
CID 110489868
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[3-(3,3-difluoropyrrolidine-1-carbonyl)quinolin-8-yl]boronic acid
CID 174048232
CID 90319937
CID 90319937
[1-[3-amino-6-(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazin-2-yl]pyrazol-4-yl]-morpholin-4-ylmethanone
CID 175891801
[4-[2-[3,5-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]-morpholin-4-ylmethanone
CID 146274685

Frequently Asked Questions

What is the IUPAC name of [8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone (CID 175885076) is [8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone is [2H]C1c2ccc(-c3cccc4cc(C(=O)N5CCOCC5)cnc34)cc2C2(CC2)N1C.
What is the InChIKey of [8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is XEIUGRHKHLMASR-QNLPYAOMSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-27-16-19-6-5-17(14-22(19)25(27)7-8-25)21-4-2-3-18-13-20(15-26-23(18)21)24(29)28-9-11-30-12-10-28/h2-6,13-15H,7-12,16H2,1H3/i16D.
What are the key properties of [8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone?
[8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 400.50 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(1-deuterio-2-methylspiro[1H-isoindole-3,1'-cyclopropane]-5-yl)quinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 175885076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).