N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine

C21H21N5O — CID 142127971

IUPACN-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine
SMILESCCC1N=C(Nc2nc(-c3ccccc3OC)nc3ccccc23)N=C1C
InChIInChI=1S/C21H21N5O/c1-4-16-13(2)22-21(24-16)26-19-14-9-5-7-11-17(14)23-20(25-19)15-10-6-8-12-18(15)27-3/h5-12,16H,4H2,1-3H3,(H,23,24,25,26)
InChIKeyWYRHBZRUTJQDIG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.33
Rot. Bonds4

About N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine

N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine (PubChem CID 142127971) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine
PubChem CID142127971
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine
SMILESCCC1N=C(Nc2nc(-c3ccccc3OC)nc3ccccc23)N=C1C
InChIInChI=1S/C21H21N5O/c1-4-16-13(2)22-21(24-16)26-19-14-9-5-7-11-17(14)23-20(25-19)15-10-6-8-12-18(15)27-3/h5-12,16H,4H2,1-3H3,(H,23,24,25,26)
InChIKeyWYRHBZRUTJQDIG-UHFFFAOYSA-N
XLogP4.33
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine
CID 142126074
2-(2-cyclopropylphenyl)-N-[(4R)-4-ethyl-5-methyl-4H-imidazol-2-yl]quinazolin-4-amine
CID 142128023
2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine
CID 10268483
2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
CID 4523898
6-fluoro-2-(2-methoxyphenyl)-N-methylquinazolin-4-amine
CID 64981420
2-(2,6-dimethylphenyl)-N-(2-ethyl-3-methyl-2H-pyrrol-5-yl)quinazolin-4-amine
CID 142126755
2-(2-chlorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-5-methyl-6-piperazin-1-ylpyrimidin-4-amine
CID 142126982
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536
N-(3-ethyl-3H-isoindol-1-yl)-8-methoxy-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 142126258
(2R,4S)-4-[[2-(2-methoxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylic acid
CID 71019505
2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
CID 757186
2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol
CID 662767

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine (CID 142127971) is N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine is CCC1N=C(Nc2nc(-c3ccccc3OC)nc3ccccc23)N=C1C.
What is the InChIKey of N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine?
The InChIKey is WYRHBZRUTJQDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-4-16-13(2)22-21(24-16)26-19-14-9-5-7-11-17(14)23-20(25-19)15-10-6-8-12-18(15)27-3/h5-12,16H,4H2,1-3H3,(H,23,24,25,26).
What are the key properties of N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine?
N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine has a molecular weight of 359.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-methyl-4H-imidazol-2-yl)-2-(2-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 142127971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).