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

C34H30Cl2N2O4 — CID 155224407

IUPAC7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline
SMILESClc1nc(Cl)c2ccc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cc2n1
InChIInChI=1S/C34H30Cl2N2O4/c35-33-27-17-16-26(18-28(27)37-34(36)38-33)30-32(41-21-25-14-8-3-9-15-25)31(40-20-24-12-6-2-7-13-24)29(42-30)22-39-19-23-10-4-1-5-11-23/h1-18,29-32H,19-22H2/t29-,30+,31-,32+/m1/s1
InChIKeySKQRYJRWBWIDCD-IQLXHWPESA-N
MW601.53 g/mol
LogP7.76
Rot. Bonds11

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

7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline (PubChem CID 155224407) has the molecular formula C34H30Cl2N2O4 and a molecular weight of 601.53 g/mol. Its IUPAC name is 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline.

Molecular Properties

Compound Name7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline
PubChem CID155224407
Molecular FormulaC34H30Cl2N2O4
Molecular Weight601.53 g/mol
Exact Mass600.16
IUPAC Name7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline
SMILESClc1nc(Cl)c2ccc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cc2n1
InChIInChI=1S/C34H30Cl2N2O4/c35-33-27-17-16-26(18-28(27)37-34(36)38-33)30-32(41-21-25-14-8-3-9-15-25)31(40-20-24-12-6-2-7-13-24)29(42-30)22-39-19-23-10-4-1-5-11-23/h1-18,29-32H,19-22H2/t29-,30+,31-,32+/m1/s1
InChIKeySKQRYJRWBWIDCD-IQLXHWPESA-N
XLogP7.76
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.53
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2-chloro-N-cyclopentylquinazolin-4-amine
CID 155211975
2,4-dichloro-7-[(2S,3S,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]quinazoline
CID 155231821
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichlorofuro[3,2-d]pyrimidine
CID 155222859
2-[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]acetonitrile
CID 67994956
(2S,3S,4R,5R,6R)-2-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 59899439
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
2-(3-methoxyphenyl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 74036259
(2R,3R,4R,5R,6R)-2-(3-chloro-5-methylphenyl)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 150893456
[4-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methanol
CID 23572743
[2-chloro-5-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phenyl]methoxy-tri(propan-2-yl)silane
CID 77260001
5-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]pyridin-2-amine
CID 10951144

Frequently Asked Questions

What is the IUPAC name of 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline?
The IUPAC name of 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline (CID 155224407) is 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline.
What is the SMILES notation for 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline?
The canonical SMILES for 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline is Clc1nc(Cl)c2ccc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cc2n1.
What is the InChIKey of 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline?
The InChIKey is SKQRYJRWBWIDCD-IQLXHWPESA-N. The full InChI is InChI=1S/C34H30Cl2N2O4/c35-33-27-17-16-26(18-28(27)37-34(36)38-33)30-32(41-21-25-14-8-3-9-15-25)31(40-20-24-12-6-2-7-13-24)29(42-30)22-39-19-23-10-4-1-5-11-23/h1-18,29-32H,19-22H2/t29-,30+,31-,32+/m1/s1.
What are the key properties of 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline?
7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline has a molecular weight of 601.53 g/mol, XLogP of 7.76, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-2,4-dichloroquinazoline is sourced from PubChem (CID 155224407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).