6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine

C20H22N4O — CID 3233853

IUPAC6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NC4CCNCC4)c3c2)c1
InChIInChI=1S/C20H22N4O/c1-25-17-4-2-3-14(11-17)15-5-6-19-18(12-15)20(23-13-22-19)24-16-7-9-21-10-8-16/h2-6,11-13,16,21H,7-10H2,1H3,(H,22,23,24)
InChIKeyVXTFWKOWYOPUHZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.47
Rot. Bonds4

About 6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine

6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine (PubChem CID 3233853) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine
PubChem CID3233853
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NC4CCNCC4)c3c2)c1
InChIInChI=1S/C20H22N4O/c1-25-17-4-2-3-14(11-17)15-5-6-19-18(12-15)20(23-13-22-19)24-16-7-9-21-10-8-16/h2-6,11-13,16,21H,7-10H2,1H3,(H,22,23,24)
InChIKeyVXTFWKOWYOPUHZ-UHFFFAOYSA-N
XLogP3.47
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine (CID 3233853) is 6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine is COc1cccc(-c2ccc3ncnc(NC4CCNCC4)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine?
The InChIKey is VXTFWKOWYOPUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-17-4-2-3-14(11-17)15-5-6-19-18(12-15)20(23-13-22-19)24-16-7-9-21-10-8-16/h2-6,11-13,16,21H,7-10H2,1H3,(H,22,23,24).
What are the key properties of 6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine?
6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine has a molecular weight of 334.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-N-piperidin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3233853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).