2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline

C37H38N2O6 — CID 157314412

IUPAC2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline
SMILESCOc1nc(OC)c2ccc(C3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@]3(C)OCc3ccccc3)cc2n1
InChIInChI=1S/C37H38N2O6/c1-37(44-24-28-17-11-6-12-18-28)33(29-19-20-30-31(21-29)38-36(41-3)39-35(30)40-2)45-32(25-42-22-26-13-7-4-8-14-26)34(37)43-23-27-15-9-5-10-16-27/h4-21,32-34H,22-25H2,1-3H3/t32-,33?,34-,37+/m1/s1
InChIKeyBDKOLBFJVYCBGS-MMESRMKJSA-N
MW606.72 g/mol
LogP6.86
Rot. Bonds13

About 2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline

2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline (PubChem CID 157314412) has the molecular formula C37H38N2O6 and a molecular weight of 606.72 g/mol. Its IUPAC name is 2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline.

Molecular Properties

Compound Name2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline
PubChem CID157314412
Molecular FormulaC37H38N2O6
Molecular Weight606.72 g/mol
Exact Mass606.27
IUPAC Name2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline
SMILESCOc1nc(OC)c2ccc(C3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@]3(C)OCc3ccccc3)cc2n1
InChIInChI=1S/C37H38N2O6/c1-37(44-24-28-17-11-6-12-18-28)33(29-19-20-30-31(21-29)38-36(41-3)39-35(30)40-2)45-32(25-42-22-26-13-7-4-8-14-26)34(37)43-23-27-15-9-5-10-16-27/h4-21,32-34H,22-25H2,1-3H3/t32-,33?,34-,37+/m1/s1
InChIKeyBDKOLBFJVYCBGS-MMESRMKJSA-N
XLogP6.86
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.72
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-dichloro-7-[(2S,3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline
CID 155231821
(2R,3S,4R,5R)-2,3-dimethyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 58759413
(2S,3R,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 118108846
(4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 163445838
4-chloro-7-[(2R,3R,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]thieno[3,4-d]pyrimidin-2-amine
CID 59440389
7-[(2S,3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine
CID 58013237
4-chloro-7-[3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine
CID 91333885
7-[(2S,3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-methylsulfanylimidazo[2,1-f][1,2,4]triazin-4-amine
CID 58013249
2-[(2S,3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-1,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraene
CID 135979777
methyl 5-[3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]furan-3-carboxylate
CID 91107206
(3R,4R,5R)-3-(cyclohexa-1,3-dien-1-ylmethoxy)-2-methoxy-3-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 70964490
7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline
CID 155224407

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline?
The IUPAC name of 2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline (CID 157314412) is 2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline.
What is the SMILES notation for 2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline?
The canonical SMILES for 2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline is COc1nc(OC)c2ccc(C3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@]3(C)OCc3ccccc3)cc2n1.
What is the InChIKey of 2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline?
The InChIKey is BDKOLBFJVYCBGS-MMESRMKJSA-N. The full InChI is InChI=1S/C37H38N2O6/c1-37(44-24-28-17-11-6-12-18-28)33(29-19-20-30-31(21-29)38-36(41-3)39-35(30)40-2)45-32(25-42-22-26-13-7-4-8-14-26)34(37)43-23-27-15-9-5-10-16-27/h4-21,32-34H,22-25H2,1-3H3/t32-,33?,34-,37+/m1/s1.
What are the key properties of 2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline?
2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline has a molecular weight of 606.72 g/mol, XLogP of 6.86, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-7-[(3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline is sourced from PubChem (CID 157314412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).