4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline

C30H28N4O — CID 71180239

IUPAC4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCC(C5=CC=CCC5)C4)c3c2)c1
InChIInChI=1S/C30H28N4O/c1-35-26-11-5-9-22(17-26)23-12-13-28-27(18-23)30(33-29(32-28)24-10-6-15-31-19-24)34-16-14-25(20-34)21-7-3-2-4-8-21/h2-3,5-7,9-13,15,17-19,25H,4,8,14,16,20H2,1H3
InChIKeyVEXVOYOSOVAJFN-UHFFFAOYSA-N
MW460.58 g/mol
LogP6.47
Rot. Bonds5

About 4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline

4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline (PubChem CID 71180239) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
PubChem CID71180239
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCC(C5=CC=CCC5)C4)c3c2)c1
InChIInChI=1S/C30H28N4O/c1-35-26-11-5-9-22(17-26)23-12-13-28-27(18-23)30(33-29(32-28)24-10-6-15-31-19-24)34-16-14-25(20-34)21-7-3-2-4-8-21/h2-3,5-7,9-13,15,17-19,25H,4,8,14,16,20H2,1H3
InChIKeyVEXVOYOSOVAJFN-UHFFFAOYSA-N
XLogP6.47
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline with MolForge

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Related Compounds

6-(3-methoxyphenyl)-4-(3-phenylpyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 71274753
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
4-(3-phenoxypyrrolidin-1-yl)-2-pyridin-3-ylquinazoline
CID 137470060
6-(2-methoxy-3,4-dihydropyridin-5-yl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 144501093
4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
CID 89417196
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
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
N-(furan-3-ylmethyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181026
6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180587

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline (CID 71180239) is 4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCC(C5=CC=CCC5)C4)c3c2)c1.
What is the InChIKey of 4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
The InChIKey is VEXVOYOSOVAJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c1-35-26-11-5-9-22(17-26)23-12-13-28-27(18-23)30(33-29(32-28)24-10-6-15-31-19-24)34-16-14-25(20-34)21-7-3-2-4-8-21/h2-3,5-7,9-13,15,17-19,25H,4,8,14,16,20H2,1H3.
What are the key properties of 4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline?
4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline has a molecular weight of 460.58 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 71180239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).