(4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone

C29H29N3O6 — CID 91279110

IUPAC(4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2cc3c(cc2c1)C(O)NC1(CCN(C(=O)c2cc(OC)c4cccc(OC)c4n2)CC1)O3
InChIInChI=1S/C29H29N3O6/c1-35-19-8-7-17-15-25-21(14-18(17)13-19)27(33)31-29(38-25)9-11-32(12-10-29)28(34)22-16-24(37-3)20-5-4-6-23(36-2)26(20)30-22/h4-8,13-16,27,31,33H,9-12H2,1-3H3
InChIKeyGAPYAKDJOHTSAA-UHFFFAOYSA-N
MW515.57 g/mol
LogP4.02
Rot. Bonds4

About (4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone

(4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone (PubChem CID 91279110) has the molecular formula C29H29N3O6 and a molecular weight of 515.57 g/mol. Its IUPAC name is (4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone
PubChem CID91279110
Molecular FormulaC29H29N3O6
Molecular Weight515.57 g/mol
Exact Mass515.21
IUPAC Name(4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone
SMILESCOc1ccc2cc3c(cc2c1)C(O)NC1(CCN(C(=O)c2cc(OC)c4cccc(OC)c4n2)CC1)O3
InChIInChI=1S/C29H29N3O6/c1-35-19-8-7-17-15-25-21(14-18(17)13-19)27(33)31-29(38-25)9-11-32(12-10-29)28(34)22-16-24(37-3)20-5-4-6-23(36-2)26(20)30-22/h4-8,13-16,27,31,33H,9-12H2,1-3H3
InChIKeyGAPYAKDJOHTSAA-UHFFFAOYSA-N
XLogP4.02
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone with MolForge

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Related Compounds

1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(trifluoromethoxy)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 44608591
1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 173051455
benzyl-[1'-(4,8-dimethoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]carbamic acid
CID 67177443
1'-(4,8-dimethoxynaphthalene-2-carbonyl)-6-methoxyspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 44608428
benzyl 2-[1'-(4,8-dimethoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-2-methylpropanoate
CID 67171388
1'-(4,8-dimethoxy-2H-quinolin-1-ide-2-carbonyl)-7-methoxyspiro[3H-benzo[g][1,3]benzoxazine-2,4'-piperidine]-4-one
CID 143927457
6-bromo-1'-(4-ethoxy-8-ethylquinoline-2-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 59144467
5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)spiro[3H-1,4-benzodioxine-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid
CID 141346232
sodium;5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride
CID 173050676
1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143398240
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methoxyquinolin-2-yl)methanone
CID 135102707
5,7-dimethoxy-1'-(4-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750376

Frequently Asked Questions

What is the IUPAC name of (4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone (CID 91279110) is (4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone is COc1ccc2cc3c(cc2c1)C(O)NC1(CCN(C(=O)c2cc(OC)c4cccc(OC)c4n2)CC1)O3.
What is the InChIKey of (4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone?
The InChIKey is GAPYAKDJOHTSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O6/c1-35-19-8-7-17-15-25-21(14-18(17)13-19)27(33)31-29(38-25)9-11-32(12-10-29)28(34)22-16-24(37-3)20-5-4-6-23(36-2)26(20)30-22/h4-8,13-16,27,31,33H,9-12H2,1-3H3.
What are the key properties of (4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone?
(4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone has a molecular weight of 515.57 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 91279110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).