1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

C27H28N6O5 — CID 173051455

IUPAC1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C4=NNNN4C)ccc2O3)nc2c(OC)cccc12
InChIInChI=1S/C27H28N6O5/c1-32-25(29-30-31-32)16-7-8-21-18(13-16)20(34)15-27(38-21)9-11-33(12-10-27)26(35)19-14-23(37-3)17-5-4-6-22(36-2)24(17)28-19/h4-8,13-14,30-31H,9-12,15H2,1-3H3
InChIKeyPHGMNXTULLBCHX-UHFFFAOYSA-N
MW516.56 g/mol
LogP2.51
Rot. Bonds4

About 1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 173051455) has the molecular formula C27H28N6O5 and a molecular weight of 516.56 g/mol. Its IUPAC name is 1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID173051455
Molecular FormulaC27H28N6O5
Molecular Weight516.56 g/mol
Exact Mass516.21
IUPAC Name1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C4=NNNN4C)ccc2O3)nc2c(OC)cccc12
InChIInChI=1S/C27H28N6O5/c1-32-25(29-30-31-32)16-7-8-21-18(13-16)20(34)15-27(38-21)9-11-33(12-10-27)26(35)19-14-23(37-3)17-5-4-6-22(36-2)24(17)28-19/h4-8,13-14,30-31H,9-12,15H2,1-3H3
InChIKeyPHGMNXTULLBCHX-UHFFFAOYSA-N
XLogP2.51
TPSA117.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.56
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

benzyl-[1'-(4,8-dimethoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]carbamic acid
CID 67177443
benzyl 2-[1'-(4,8-dimethoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-2-methylpropanoate
CID 67171388
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
1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(trifluoromethoxy)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 44608591
methyl 4-[8-cyclopropyl-2-[6-(1-methylpyrazol-4-yl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]quinolin-4-yl]benzoate
CID 58208703
(4,8-dimethoxyquinolin-2-yl)-(4-hydroxy-7-methoxyspiro[3,4-dihydrobenzo[g][1,3]benzoxazine-2,4'-piperidine]-1'-yl)methanone
CID 91279110
1-[1'-[7-methoxy-2-(methylcarbamoylamino)-1-benzothiophene-3-carbonyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-3-methylurea
CID 59312149
6-methoxy-1'-[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 136782689
1'-(1-cyclopropyl-5-methoxyisoquinoline-7-carbonyl)-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 135441346
1'-(2H-benzotriazole-5-carbonyl)-5-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884680
5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)spiro[3H-1,4-benzodioxine-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid
CID 141346232

Frequently Asked Questions

What is the IUPAC name of 1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 173051455) is 1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C4=NNNN4C)ccc2O3)nc2c(OC)cccc12.
What is the InChIKey of 1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is PHGMNXTULLBCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O5/c1-32-25(29-30-31-32)16-7-8-21-18(13-16)20(34)15-27(38-21)9-11-33(12-10-27)26(35)19-14-23(37-3)17-5-4-6-22(36-2)24(17)28-19/h4-8,13-14,30-31H,9-12,15H2,1-3H3.
What are the key properties of 1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 516.56 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 173051455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).