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

C25H24N4O — CID 71181032

IUPAC6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCCCC4)c3c2)c1
InChIInChI=1S/C25H24N4O/c1-30-21-9-5-7-18(15-21)19-10-11-23-22(16-19)25(29-13-3-2-4-14-29)28-24(27-23)20-8-6-12-26-17-20/h5-12,15-17H,2-4,13-14H2,1H3
InChIKeyFWVGOGVUPCYIAO-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.36
Rot. Bonds4

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

6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline (PubChem CID 71181032) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
PubChem CID71181032
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
SMILESCOc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCCCC4)c3c2)c1
InChIInChI=1S/C25H24N4O/c1-30-21-9-5-7-18(15-21)19-10-11-23-22(16-19)25(29-13-3-2-4-14-29)28-24(27-23)20-8-6-12-26-17-20/h5-12,15-17H,2-4,13-14H2,1H3
InChIKeyFWVGOGVUPCYIAO-UHFFFAOYSA-N
XLogP5.36
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533
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
6-bromo-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71274573
4-(3-cyclohexa-1,3-dien-1-ylpyrrolidin-1-yl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazoline
CID 71180239
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-(3-methoxyphenyl)sulfonyl-4-piperidin-1-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 5260855
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

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline?
The IUPAC name of 6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline (CID 71181032) is 6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline?
The canonical SMILES for 6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline is COc1cccc(-c2ccc3nc(-c4cccnc4)nc(N4CCCCC4)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline?
The InChIKey is FWVGOGVUPCYIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-30-21-9-5-7-18(15-21)19-10-11-23-22(16-19)25(29-13-3-2-4-14-29)28-24(27-23)20-8-6-12-26-17-20/h5-12,15-17H,2-4,13-14H2,1H3.
What are the key properties of 6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline?
6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline has a molecular weight of 396.49 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 71181032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).