N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine

C22H27N5 — CID 68721936

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine
SMILESCN(C)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1
InChIInChI=1S/C22H27N5/c1-26(2)18-12-10-17(11-13-18)16-23-21-19-8-4-5-9-20(19)24-22(25-21)27-14-6-3-7-15-27/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,23,24,25)
InChIKeyVXDNDZTVXSHODO-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.30
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine

N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine (PubChem CID 68721936) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine
PubChem CID68721936
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine
SMILESCN(C)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1
InChIInChI=1S/C22H27N5/c1-26(2)18-12-10-17(11-13-18)16-23-21-19-8-4-5-9-20(19)24-22(25-21)27-14-6-3-7-15-27/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,23,24,25)
InChIKeyVXDNDZTVXSHODO-UHFFFAOYSA-N
XLogP4.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 71690843
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
N-benzyl-2-(4-ethylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 25144317
ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
CID 164569939
1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 25144877
2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 142682247
2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
CID 68723523
2-[4-[4-(benzylamino)quinazolin-2-yl]-1,4-diazepan-1-yl]acetamide
CID 166243447
N-benzyl-2-[8-(dimethylamino)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]quinazolin-4-amine
CID 166369484
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
CID 91963464
N-benzyl-2-(2,7-diazaspiro[4.6]undecan-7-yl)quinazolin-4-amine
CID 166369531

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine (CID 68721936) is N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine is CN(C)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine?
The InChIKey is VXDNDZTVXSHODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-26(2)18-12-10-17(11-13-18)16-23-21-19-8-4-5-9-20(19)24-22(25-21)27-14-6-3-7-15-27/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,23,24,25).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine?
N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine has a molecular weight of 361.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 68721936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).