2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol

C30H34N2O3 — CID 77156058

IUPAC2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCc1cc2nc(C(C)C)ccc2c(-c2ccc3c4c(ccnc24)CCO3)c1C(CO)OC(C)(C)C
InChIInChI=1S/C30H34N2O3/c1-17(2)22-9-7-20-23(32-22)15-18(3)26(25(16-33)35-30(4,5)6)28(20)21-8-10-24-27-19(12-14-34-24)11-13-31-29(21)27/h7-11,13,15,17,25,33H,12,14,16H2,1-6H3
InChIKeyIPOYXFAUQQGGMS-UHFFFAOYSA-N
MW470.61 g/mol
LogP6.67
Rot. Bonds5

About 2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol

2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 77156058) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID77156058
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCc1cc2nc(C(C)C)ccc2c(-c2ccc3c4c(ccnc24)CCO3)c1C(CO)OC(C)(C)C
InChIInChI=1S/C30H34N2O3/c1-17(2)22-9-7-20-23(32-22)15-18(3)26(25(16-33)35-30(4,5)6)28(20)21-8-10-24-27-19(12-14-34-24)11-13-31-29(21)27/h7-11,13,15,17,25,33H,12,14,16H2,1-6H3
InChIKeyIPOYXFAUQQGGMS-UHFFFAOYSA-N
XLogP6.67
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 77156058) is 2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol is Cc1cc2nc(C(C)C)ccc2c(-c2ccc3c4c(ccnc24)CCO3)c1C(CO)OC(C)(C)C.
What is the InChIKey of 2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is IPOYXFAUQQGGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-17(2)22-9-7-20-23(32-22)15-18(3)26(25(16-33)35-30(4,5)6)28(20)21-8-10-24-27-19(12-14-34-24)11-13-31-29(21)27/h7-11,13,15,17,25,33H,12,14,16H2,1-6H3.
What are the key properties of 2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 470.61 g/mol, XLogP of 6.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-propan-2-ylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 77156058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).