6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline

C23H23N5O — CID 144501093

IUPAC6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
SMILESCOC1=NC=C(c2ccc3nc(-c4cccnc4)nc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C23H23N5O/c1-29-21-9-7-17(15-25-21)16-6-8-20-19(13-16)23(28-11-2-3-12-28)27-22(26-20)18-5-4-10-24-14-18/h4-6,8,10,13-15H,2-3,7,9,11-12H2,1H3
InChIKeyJUWFPAAJYSIXOA-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.47
Rot. Bonds3

About 6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline

6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline (PubChem CID 144501093) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
PubChem CID144501093
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
SMILESCOC1=NC=C(c2ccc3nc(-c4cccnc4)nc(N4CCCC4)c3c2)CC1
InChIInChI=1S/C23H23N5O/c1-29-21-9-7-17(15-25-21)16-6-8-20-19(13-16)23(28-11-2-3-12-28)27-22(26-20)18-5-4-10-24-14-18/h4-6,8,10,13-15H,2-3,7,9,11-12H2,1H3
InChIKeyJUWFPAAJYSIXOA-UHFFFAOYSA-N
XLogP4.47
TPSA63.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline 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

6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533
6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71181032
6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71274573
6-(3-methoxyphenyl)-4-(3-phenylpyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 71274753
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133333971
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
CID 71180239
[4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 171988085
4-(azetidin-1-yl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 18287230
4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
CID 89417196
4-(2-pyridin-3-ylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133287442
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline (CID 144501093) is 6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline is COC1=NC=C(c2ccc3nc(-c4cccnc4)nc(N4CCCC4)c3c2)CC1.
What is the InChIKey of 6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline?
The InChIKey is JUWFPAAJYSIXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-29-21-9-7-17(15-25-21)16-6-8-20-19(13-16)23(28-11-2-3-12-28)27-22(26-20)18-5-4-10-24-14-18/h4-6,8,10,13-15H,2-3,7,9,11-12H2,1H3.
What are the key properties of 6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline?
6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline has a molecular weight of 385.47 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 144501093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).