6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline

C48H44N8O2 — CID 141404533

IUPAC6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCCC4)c3c2)c1.COc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCCC4)c3c2)c1
InChIInChI=1S/2C24H22N4O/c2*1-29-20-8-4-6-17(14-20)18-9-10-22-21(15-18)24(28-12-2-3-13-28)27-23(26-22)19-7-5-11-25-16-19/h2*4-11,14-16H,2-3,12-13H2,1H3
InChIKeyZGHQOAXJRUOLRX-UHFFFAOYSA-N
MW764.93 g/mol
LogP9.94
Rot. Bonds8

About 6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline

6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline (PubChem CID 141404533) has the molecular formula C48H44N8O2 and a molecular weight of 764.93 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
PubChem CID141404533
Molecular FormulaC48H44N8O2
Molecular Weight764.93 g/mol
Exact Mass764.36
IUPAC Name6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCCC4)c3c2)c1.COc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCCC4)c3c2)c1
InChIInChI=1S/2C24H22N4O/c2*1-29-20-8-4-6-17(14-20)18-9-10-22-21(15-18)24(28-12-2-3-13-28)27-23(26-22)19-7-5-11-25-16-19/h2*4-11,14-16H,2-3,12-13H2,1H3
InChIKeyZGHQOAXJRUOLRX-UHFFFAOYSA-N
XLogP9.94
TPSA102.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71181032
6-(3-methoxyphenyl)-4-(3-phenylpyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 71274753
6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 144501093
4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
CID 71180239
6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71274573
4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
CID 89417196
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazoline
CID 731359
N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181024
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
N-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 5260842
1-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-N,N-dimethyl-2,3-dihydroindol-5-amine
CID 71180671
6-(3-methylperoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 135128031

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline (CID 141404533) is 6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCCC4)c3c2)c1.COc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCCC4)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline?
The InChIKey is ZGHQOAXJRUOLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22N4O/c2*1-29-20-8-4-6-17(14-20)18-9-10-22-21(15-18)24(28-12-2-3-13-28)27-23(26-22)19-7-5-11-25-16-19/h2*4-11,14-16H,2-3,12-13H2,1H3.
What are the key properties of 6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline?
6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline has a molecular weight of 764.93 g/mol, XLogP of 9.94, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 141404533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).