2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine

C22H27N5 — CID 3234346

IUPAC2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine
SMILESCN(C)Cc1ccccc1-c1nc(NC2CCNCC2)c2ccccc2n1
InChIInChI=1S/C22H27N5/c1-27(2)15-16-7-3-4-8-18(16)21-25-20-10-6-5-9-19(20)22(26-21)24-17-11-13-23-14-12-17/h3-10,17,23H,11-15H2,1-2H3,(H,24,25,26)
InChIKeySGJYBSQIPRDVGJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.52
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine

2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine (PubChem CID 3234346) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine
PubChem CID3234346
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine
SMILESCN(C)Cc1ccccc1-c1nc(NC2CCNCC2)c2ccccc2n1
InChIInChI=1S/C22H27N5/c1-27(2)15-16-7-3-4-8-18(16)21-25-20-10-6-5-9-19(20)22(26-21)24-17-11-13-23-14-12-17/h3-10,17,23H,11-15H2,1-2H3,(H,24,25,26)
InChIKeySGJYBSQIPRDVGJ-UHFFFAOYSA-N
XLogP3.52
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine (CID 3234346) is 2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine is CN(C)Cc1ccccc1-c1nc(NC2CCNCC2)c2ccccc2n1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine?
The InChIKey is SGJYBSQIPRDVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-27(2)15-16-7-3-4-8-18(16)21-25-20-10-6-5-9-19(20)22(26-21)24-17-11-13-23-14-12-17/h3-10,17,23H,11-15H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine?
2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine has a molecular weight of 361.49 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]phenyl]-N-piperidin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3234346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).