N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine

C20H22N4O — CID 2095932

IUPACN-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H22N4O/c1-25-16-11-9-15(10-12-16)21-20-22-18-8-4-3-7-17(18)19(23-20)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,21,22,23)
InChIKeyYJXVBAMNAUTWBU-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.37
Rot. Bonds4

About N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine

N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine (PubChem CID 2095932) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine
PubChem CID2095932
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H22N4O/c1-25-16-11-9-15(10-12-16)21-20-22-18-8-4-3-7-17(18)19(23-20)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,21,22,23)
InChIKeyYJXVBAMNAUTWBU-UHFFFAOYSA-N
XLogP4.37
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine (CID 2095932) is N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine is COc1ccc(Nc2nc(N3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine?
The InChIKey is YJXVBAMNAUTWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-16-11-9-15(10-12-16)21-20-22-18-8-4-3-7-17(18)19(23-20)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,21,22,23).
What are the key properties of N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine?
N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine has a molecular weight of 334.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine is sourced from PubChem (CID 2095932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).