2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline

C23H27N3O2 — CID 66745885

IUPAC2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline
SMILESCOc1ccc2nc(-c3cc(C)c(OCCN4CCCC4)c(C)c3)ncc2c1
InChIInChI=1S/C23H27N3O2/c1-16-12-18(13-17(2)22(16)28-11-10-26-8-4-5-9-26)23-24-15-19-14-20(27-3)6-7-21(19)25-23/h6-7,12-15H,4-5,8-11H2,1-3H3
InChIKeyTZROSWAZVISLDG-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.40
Rot. Bonds6

About 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline

2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline (PubChem CID 66745885) 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]-6-methoxyquinazoline.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline
PubChem CID66745885
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline
SMILESCOc1ccc2nc(-c3cc(C)c(OCCN4CCCC4)c(C)c3)ncc2c1
InChIInChI=1S/C23H27N3O2/c1-16-12-18(13-17(2)22(16)28-11-10-26-8-4-5-9-26)23-24-15-19-14-20(27-3)6-7-21(19)25-23/h6-7,12-15H,4-5,8-11H2,1-3H3
InChIKeyTZROSWAZVISLDG-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

Analyze 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline 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

2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-8-methoxyquinazoline
CID 66746119
2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,7-difluoroquinazoline
CID 66745147
4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685969
1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one
CID 139774917
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 18327476
4-[2-[4-(6,8-dimethoxyisoquinolin-3-yl)-2,6-dimethylphenoxy]ethyl]morpholine
CID 24957862
2-[4-[3-(6-methoxyquinazolin-2-yl)oxypropyl]piperazin-1-yl]ethanol;hydrochloride
CID 157322851
2-[3,5-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5,7-dimethoxy-3-(3-pyrrolidin-1-ylpropyl)quinazolin-4-one
CID 46912518
1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 18182724
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22687707
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline?
The IUPAC name of 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline (CID 66745885) is 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline.
What is the SMILES notation for 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline?
The canonical SMILES for 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline is COc1ccc2nc(-c3cc(C)c(OCCN4CCCC4)c(C)c3)ncc2c1.
What is the InChIKey of 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline?
The InChIKey is TZROSWAZVISLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-12-18(13-17(2)22(16)28-11-10-26-8-4-5-9-26)23-24-15-19-14-20(27-3)6-7-21(19)25-23/h6-7,12-15H,4-5,8-11H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-methoxyquinazoline?
2-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-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]-6-methoxyquinazoline is sourced from PubChem (CID 66745885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).