2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline

C23H27N3O2 — CID 66746119

IUPAC2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline
SMILESCOc1cccc2cnc(-c3cc(C)c(OCCN4CCCC4)c(C)c3)nc12
InChIInChI=1S/C23H27N3O2/c1-16-13-19(14-17(2)22(16)28-12-11-26-9-4-5-10-26)23-24-15-18-7-6-8-20(27-3)21(18)25-23/h6-8,13-15H,4-5,9-12H2,1-3H3
InChIKeyMUWNZQARKXICJQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.40
Rot. Bonds6

About 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline

2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline (PubChem CID 66746119) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline
PubChem CID66746119
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline
SMILESCOc1cccc2cnc(-c3cc(C)c(OCCN4CCCC4)c(C)c3)nc12
InChIInChI=1S/C23H27N3O2/c1-16-13-19(14-17(2)22(16)28-12-11-26-9-4-5-10-26)23-24-15-18-7-6-8-20(27-3)21(18)25-23/h6-8,13-15H,4-5,9-12H2,1-3H3
InChIKeyMUWNZQARKXICJQ-UHFFFAOYSA-N
XLogP4.40
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline
CID 66745885
2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,7-difluoroquinazoline
CID 66745147
3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22684728
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 18327476
3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzenecarbothioamide
CID 22687601
3-methoxy-6-(2-piperidin-1-ylethoxy)pyrrolo[1,2-a]quinoxaline
CID 70080438
4-[2-[4-(6,8-dimethoxyisoquinolin-3-yl)-2,6-dimethylphenoxy]ethyl]morpholine
CID 24957862
8-methoxy-3-methyl-2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11545644
1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 139774917
1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine
CID 135155342

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline?
The IUPAC name of 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline (CID 66746119) is 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline.
What is the SMILES notation for 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline?
The canonical SMILES for 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline is COc1cccc2cnc(-c3cc(C)c(OCCN4CCCC4)c(C)c3)nc12.
What is the InChIKey of 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline?
The InChIKey is MUWNZQARKXICJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-13-19(14-17(2)22(16)28-12-11-26-9-4-5-10-26)23-24-15-18-7-6-8-20(27-3)21(18)25-23/h6-8,13-15H,4-5,9-12H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline?
2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline has a molecular weight of 377.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline is sourced from PubChem (CID 66746119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).