2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine

C22H26N4O3 — CID 142682247

IUPAC2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(OC)c(CNc2nc(N3CCCC3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C22H26N4O3/c1-27-15-12-19(28-2)17(20(13-15)29-3)14-23-21-16-8-4-5-9-18(16)24-22(25-21)26-10-6-7-11-26/h4-5,8-9,12-13H,6-7,10-11,14H2,1-3H3,(H,23,24,25)
InChIKeyDHZKRNYVRHFWSX-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.87
Rot. Bonds7

About 2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine

2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 142682247) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
PubChem CID142682247
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(OC)c(CNc2nc(N3CCCC3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C22H26N4O3/c1-27-15-12-19(28-2)17(20(13-15)29-3)14-23-21-16-8-4-5-9-18(16)24-22(25-21)26-10-6-7-11-26/h4-5,8-9,12-13H,6-7,10-11,14H2,1-3H3,(H,23,24,25)
InChIKeyDHZKRNYVRHFWSX-UHFFFAOYSA-N
XLogP3.87
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963614
N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine
CID 68721936
N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
CID 1290462
N-(2,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-amine
CID 2067296
2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 91963312
N-[(4-chlorophenyl)methyl]-2-[4-(2-fluoro-6-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 167810756
2-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 71891768
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
CID 164569939
2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
CID 68723523

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine (CID 142682247) is 2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine is COc1cc(OC)c(CNc2nc(N3CCCC3)nc3ccccc23)c(OC)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is DHZKRNYVRHFWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-27-15-12-19(28-2)17(20(13-15)29-3)14-23-21-16-8-4-5-9-18(16)24-22(25-21)26-10-6-7-11-26/h4-5,8-9,12-13H,6-7,10-11,14H2,1-3H3,(H,23,24,25).
What are the key properties of 2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine?
2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 394.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 142682247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).