N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine

C22H26N4O — CID 20963130

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCCN1CCCC1CNc1nc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C22H26N4O/c1-3-26-14-6-7-17(26)15-23-22-19-8-4-5-9-20(19)24-21(25-22)16-10-12-18(27-2)13-11-16/h4-5,8-13,17H,3,6-7,14-15H2,1-2H3,(H,23,24,25)
InChIKeyORDWDTMOGIKMOU-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.20
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine (PubChem CID 20963130) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine
PubChem CID20963130
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine
SMILESCCN1CCCC1CNc1nc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C22H26N4O/c1-3-26-14-6-7-17(26)15-23-22-19-8-4-5-9-20(19)24-21(25-22)16-10-12-18(27-2)13-11-16/h4-5,8-13,17H,3,6-7,14-15H2,1-2H3,(H,23,24,25)
InChIKeyORDWDTMOGIKMOU-UHFFFAOYSA-N
XLogP4.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 731357
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)quinolin-4-amine
CID 11100047
2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile
CID 63885618
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
1-ethyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]guanidine
CID 111261487
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine
CID 171356984
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4-methoxyphenyl)methyl]thiourea
CID 7987088
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 71701198
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94514892
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]quinazolin-4-amine
CID 106028358

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine (CID 20963130) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine is CCN1CCCC1CNc1nc(-c2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is ORDWDTMOGIKMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-26-14-6-7-17(26)15-23-22-19-8-4-5-9-20(19)24-21(25-22)16-10-12-18(27-2)13-11-16/h4-5,8-13,17H,3,6-7,14-15H2,1-2H3,(H,23,24,25).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 20963130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).