7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one

C23H24N4O2 — CID 155954004

IUPAC7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one
SMILESCN1CCC2(CC1)CN(C(=O)c1ccc3c(=O)[nH]cnc3c1)Cc1ccccc12
InChIInChI=1S/C23H24N4O2/c1-26-10-8-23(9-11-26)14-27(13-17-4-2-3-5-19(17)23)22(29)16-6-7-18-20(12-16)24-15-25-21(18)28/h2-7,12,15H,8-11,13-14H2,1H3,(H,24,25,28)
InChIKeyMFEBWDRSCWSKNU-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.54
Rot. Bonds1

About 7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one

7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one (PubChem CID 155954004) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one
PubChem CID155954004
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one
SMILESCN1CCC2(CC1)CN(C(=O)c1ccc3c(=O)[nH]cnc3c1)Cc1ccccc12
InChIInChI=1S/C23H24N4O2/c1-26-10-8-23(9-11-26)14-27(13-17-4-2-3-5-19(17)23)22(29)16-6-7-18-20(12-16)24-15-25-21(18)28/h2-7,12,15H,8-11,13-14H2,1H3,(H,24,25,28)
InChIKeyMFEBWDRSCWSKNU-UHFFFAOYSA-N
XLogP2.54
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one with MolForge

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Related Compounds

(4S)-4-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)azetidin-2-one
CID 166417503
7-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3H-quinazolin-4-one
CID 155954274
7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one
CID 136559134
2-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)pyridine-4-carboxylic acid
CID 122056342
7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953976
7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one
CID 167743252
1-[1'-(1,3-benzodioxole-5-carbonyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 97407777
7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953985
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
(3-chlorophenyl)-(1'-prop-2-enylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)methanone
CID 59003922
[6-(benzimidazol-1-yl)-3-pyridinyl]-spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-ylmethanone
CID 119043755
1,3-benzothiazol-6-yl(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 74237717

Frequently Asked Questions

What is the IUPAC name of 7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one (CID 155954004) is 7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one is CN1CCC2(CC1)CN(C(=O)c1ccc3c(=O)[nH]cnc3c1)Cc1ccccc12.
What is the InChIKey of 7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one?
The InChIKey is MFEBWDRSCWSKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-26-10-8-23(9-11-26)14-27(13-17-4-2-3-5-19(17)23)22(29)16-6-7-18-20(12-16)24-15-25-21(18)28/h2-7,12,15H,8-11,13-14H2,1H3,(H,24,25,28).
What are the key properties of 7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one?
7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one has a molecular weight of 388.47 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 155954004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).