2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C32H33N3O4 — CID 77156237

IUPAC2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cc2c(ccc3nc(C(C)C)cn32)c(-c2ccc3c4c(ccnc24)CCO3)c1C(OC(C)(C)C)C(=O)O
InChIInChI=1S/C32H33N3O4/c1-17(2)22-16-35-23-15-18(3)26(30(31(36)37)39-32(4,5)6)28(20(23)8-10-25(35)34-22)21-7-9-24-27-19(12-14-38-24)11-13-33-29(21)27/h7-11,13,15-17,30H,12,14H2,1-6H3,(H,36,37)
InChIKeyBXZIJZPZGSVHBQ-UHFFFAOYSA-N
MW523.63 g/mol
LogP7.01
Rot. Bonds5

About 2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 77156237) has the molecular formula C32H33N3O4 and a molecular weight of 523.63 g/mol. Its IUPAC name is 2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID77156237
Molecular FormulaC32H33N3O4
Molecular Weight523.63 g/mol
Exact Mass523.25
IUPAC Name2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1cc2c(ccc3nc(C(C)C)cn32)c(-c2ccc3c4c(ccnc24)CCO3)c1C(OC(C)(C)C)C(=O)O
InChIInChI=1S/C32H33N3O4/c1-17(2)22-16-35-23-15-18(3)26(30(31(36)37)39-32(4,5)6)28(20(23)8-10-25(35)34-22)21-7-9-24-27-19(12-14-38-24)11-13-33-29(21)27/h7-11,13,15-17,30H,12,14H2,1-6H3,(H,36,37)
InChIKeyBXZIJZPZGSVHBQ-UHFFFAOYSA-N
XLogP7.01
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.63
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid with MolForge

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Related Compounds

(2S)-2-tert-butoxy-2-[7-(4,4-dimethyl-1-piperidyl)-8-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,5-dimethyl-imidazo[1,2-a]pyridin-6-yl]acetic acid
CID 163359806
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-m-tolyl-acetic acid
CID 18950608
(2S)-2-tert-butoxy-2-[7-(4,4-dimethyl-1-piperidyl)-2-ethyl-8-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-5-methyl-imidazo[1,2-a]pyridin-6-yl]acetic acid
CID 168296343
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-p-tolyl-acetic acid
CID 18950592
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-o-tolyl-acetic acid
CID 18950598
(2s)-Tert-Butoxy[1-(3,4-Difluorobenzyl)-6-Methyl-4-(5-Methyl-3,4-Dihydro-2h-Chromen-6-Yl)-1h-Pyrrolo[2,3-B]pyridin-5-Yl]acetic Acid
CID 71209363
Biphenyl-3-yl-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-acetic acid
CID 44348259
[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-(4-ethyl-phenyl)-acetic acid
CID 44348302
(2S)-2-tert-butoxy-2-[6-(1,6-dimethylbenzimidazol-2-yl)-4-[(4S)-4,5-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl]-2,5-dimethyl-3-pyridyl]acetic acid
CID 129907704
(2S)-2-tert-butoxy-2-[4-[(4S)-4,5-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl]-2,5-dimethyl-6-(1-methylbenzimidazol-2-yl)-3-pyridyl]acetic acid
CID 129907772
(2S)-2-tert-butoxy-2-[7-(4,4-dimethyl-1-piperidyl)-8-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-isopropyl-5-methyl-imidazo[1,2-a]pyridin-6-yl]acetic acid
CID 168278366
(2S)-2-tert-butoxy-2-[7-(4,4-dimethyl-1-piperidyl)-8-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-isobutyl-5-methyl-imidazo[1,2-a]pyridin-6-yl]acetic acid
CID 168289132

Frequently Asked Questions

What is the IUPAC name of 2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 77156237) is 2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc2c(ccc3nc(C(C)C)cn32)c(-c2ccc3c4c(ccnc24)CCO3)c1C(OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is BXZIJZPZGSVHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O4/c1-17(2)22-16-35-23-15-18(3)26(30(31(36)37)39-32(4,5)6)28(20(23)8-10-25(35)34-22)21-7-9-24-27-19(12-14-38-24)11-13-33-29(21)27/h7-11,13,15-17,30H,12,14H2,1-6H3,(H,36,37).
What are the key properties of 2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 523.63 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylimidazo[1,2-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 77156237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).