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

C33H33N3O4 — CID 143398240

IUPAC1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C4=CNCC(C)=C4)ccc2O3)nc2c(C3CC3)cccc12
InChIInChI=1S/C33H33N3O4/c1-20-14-23(19-34-18-20)22-8-9-29-26(15-22)28(37)17-33(40-29)10-12-36(13-11-33)32(38)27-16-30(39-2)25-5-3-4-24(21-6-7-21)31(25)35-27/h3-5,8-9,14-16,19,21,34H,6-7,10-13,17-18H2,1-2H3
InChIKeyIPMISVWCRJKOSL-UHFFFAOYSA-N
MW535.64 g/mol
LogP5.65
Rot. Bonds4

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

1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 143398240) has the molecular formula C33H33N3O4 and a molecular weight of 535.64 g/mol. Its IUPAC name is 1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID143398240
Molecular FormulaC33H33N3O4
Molecular Weight535.64 g/mol
Exact Mass535.25
IUPAC Name1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C4=CNCC(C)=C4)ccc2O3)nc2c(C3CC3)cccc12
InChIInChI=1S/C33H33N3O4/c1-20-14-23(19-34-18-20)22-8-9-29-26(15-22)28(37)17-33(40-29)10-12-36(13-11-33)32(38)27-16-30(39-2)25-5-3-4-24(21-6-7-21)31(25)35-27/h3-5,8-9,14-16,19,21,34H,6-7,10-13,17-18H2,1-2H3
InChIKeyIPMISVWCRJKOSL-UHFFFAOYSA-N
XLogP5.65
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.64
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
1'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(1-methyl-2,3-dihydrotetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 173051455
5-[1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)spiro[3H-1,4-benzodioxine-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid
CID 141346232
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
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
5-[3-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid
CID 67033568
(8-cyclopropyl-4-methoxyquinolin-2-yl)-imidazol-1-ylmethanone
CID 67170184
(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'-(4,8-dimethoxyquinoline-2-carbonyl)-6-(trifluoromethoxy)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 44608591
N-[5-[1'-(1-cyclopropyl-4-methoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-1H-1,2,4-triazol-3-yl]formamide
CID 59761574

Frequently Asked Questions

What is the IUPAC name of 1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 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) is 1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is COc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(C4=CNCC(C)=C4)ccc2O3)nc2c(C3CC3)cccc12.
What is the InChIKey of 1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is IPMISVWCRJKOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O4/c1-20-14-23(19-34-18-20)22-8-9-29-26(15-22)28(37)17-33(40-29)10-12-36(13-11-33)32(38)27-16-30(39-2)25-5-3-4-24(21-6-7-21)31(25)35-27/h3-5,8-9,14-16,19,21,34H,6-7,10-13,17-18H2,1-2H3.
What are the key properties of 1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 535.64 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-6-(3-methyl-1,2-dihydropyridin-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 143398240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).