N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine

C22H26N4O — CID 21004071

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
SMILESCOc1ccc(CCNc2nc(CN3CCCC3)nc3ccccc23)cc1
InChIInChI=1S/C22H26N4O/c1-27-18-10-8-17(9-11-18)12-13-23-22-19-6-2-3-7-20(19)24-21(25-22)16-26-14-4-5-15-26/h2-3,6-11H,4-5,12-16H2,1H3,(H,23,24,25)
InChIKeyGJHZXRXOZMPDSG-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine

N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine (PubChem CID 21004071) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
PubChem CID21004071
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
SMILESCOc1ccc(CCNc2nc(CN3CCCC3)nc3ccccc23)cc1
InChIInChI=1S/C22H26N4O/c1-27-18-10-8-17(9-11-18)12-13-23-22-19-6-2-3-7-20(19)24-21(25-22)16-26-14-4-5-15-26/h2-3,6-11H,4-5,12-16H2,1H3,(H,23,24,25)
InChIKeyGJHZXRXOZMPDSG-UHFFFAOYSA-N
XLogP3.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine
CID 118722361
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine
CID 20963212
N-(1,3-benzodioxol-5-ylmethyl)-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
CID 21004066
N-methyl-N'-[2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143397861
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 21003978
2-(azepan-1-ylmethyl)-N-(2-phenylethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 11547916
2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid
CID 21004110
N-(3,5-dimethoxyphenyl)-4-[[4-[3-(dimethylamino)propylamino]quinazolin-2-yl]methyl]piperazine-1-carboxamide
CID 58809357
2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]hexanoic acid
CID 21004111
N-methyl-N'-[2-[[4-[(1-phenylsulfanylpyrrol-2-yl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]propane-1,3-diamine
CID 143397156

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine (CID 21004071) is N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine is COc1ccc(CCNc2nc(CN3CCCC3)nc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine?
The InChIKey is GJHZXRXOZMPDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-27-18-10-8-17(9-11-18)12-13-23-22-19-6-2-3-7-20(19)24-21(25-22)16-26-14-4-5-15-26/h2-3,6-11H,4-5,12-16H2,1H3,(H,23,24,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine?
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 21004071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).