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

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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).