2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol

C40H46N8O6 — CID 158080635

IUPAC2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol
SMILESCC(C)(O)C1CC(Oc2cnc3ccccc3n2)CN1.COc1cc2ncnc(N3CC(Oc4cnc5ccccc5n4)CC3C(C)(C)O)c2cc1OC
InChIInChI=1S/C25H27N5O4.C15H19N3O2/c1-25(2,31)22-9-15(34-23-12-26-17-7-5-6-8-18(17)29-23)13-30(22)24-16-10-20(32-3)21(33-4)11-19(16)27-14-28-24;1-15(2,19)13-7-10(8-17-13)20-14-9-16-11-5-3-4-6-12(11)18-14/h5-8,10-12,14-15,22,31H,9,13H2,1-4H3;3-6,9-10,13,17,19H,7-8H2,1-2H3
InChIKeyFMXIOHHKAFXPNQ-UHFFFAOYSA-N
MW734.86 g/mol
LogP4.90
Rot. Bonds9

About 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol

2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol (PubChem CID 158080635) has the molecular formula C40H46N8O6 and a molecular weight of 734.86 g/mol. Its IUPAC name is 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol
PubChem CID158080635
Molecular FormulaC40H46N8O6
Molecular Weight734.86 g/mol
Exact Mass734.35
IUPAC Name2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol
SMILESCC(C)(O)C1CC(Oc2cnc3ccccc3n2)CN1.COc1cc2ncnc(N3CC(Oc4cnc5ccccc5n4)CC3C(C)(C)O)c2cc1OC
InChIInChI=1S/C25H27N5O4.C15H19N3O2/c1-25(2,31)22-9-15(34-23-12-26-17-7-5-6-8-18(17)29-23)13-30(22)24-16-10-20(32-3)21(33-4)11-19(16)27-14-28-24;1-15(2,19)13-7-10(8-17-13)20-14-9-16-11-5-3-4-6-12(11)18-14/h5-8,10-12,14-15,22,31H,9,13H2,1-4H3;3-6,9-10,13,17,19H,7-8H2,1-2H3
InChIKeyFMXIOHHKAFXPNQ-UHFFFAOYSA-N
XLogP4.90
TPSA169.99 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.86
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol with MolForge

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Related Compounds

7-(2-(18F)fluoroethoxy)-6-methoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline
CID 57328250
CID 69471321
CID 69471321
4-(3,6-diazabicyclo[3.2.1]octan-3-yl)-6,7-dimethoxyquinazoline
CID 156824030
2-(azetidin-3-yloxy)quinoxaline
CID 63105346
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole
CID 11689657
(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
CID 69368621
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560122
4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 11553351
2-tert-butyl-4-(6-methoxy-7-phenylmethoxyquinazolin-4-yl)-1,4-diazepane-1-carboxylic acid
CID 166071289
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol?
The IUPAC name of 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol (CID 158080635) is 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol.
What is the SMILES notation for 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol?
The canonical SMILES for 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol is CC(C)(O)C1CC(Oc2cnc3ccccc3n2)CN1.COc1cc2ncnc(N3CC(Oc4cnc5ccccc5n4)CC3C(C)(C)O)c2cc1OC.
What is the InChIKey of 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol?
The InChIKey is FMXIOHHKAFXPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4.C15H19N3O2/c1-25(2,31)22-9-15(34-23-12-26-17-7-5-6-8-18(17)29-23)13-30(22)24-16-10-20(32-3)21(33-4)11-19(16)27-14-28-24;1-15(2,19)13-7-10(8-17-13)20-14-9-16-11-5-3-4-6-12(11)18-14/h5-8,10-12,14-15,22,31H,9,13H2,1-4H3;3-6,9-10,13,17,19H,7-8H2,1-2H3.
What are the key properties of 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol?
2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol has a molecular weight of 734.86 g/mol, XLogP of 4.90, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-quinoxalin-2-yloxypyrrolidin-2-yl]propan-2-ol;2-(4-quinoxalin-2-yloxypyrrolidin-2-yl)propan-2-ol is sourced from PubChem (CID 158080635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).