N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine

C21H24N4O — CID 24508581

IUPACN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
SMILESCc1ccc(C(CN2CCOCC2)Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C21H24N4O/c1-16-6-8-17(9-7-16)20(14-25-10-12-26-13-11-25)24-21-18-4-2-3-5-19(18)22-15-23-21/h2-9,15,20H,10-14H2,1H3,(H,22,23,24)
InChIKeyFVSNEROFGFQFPH-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.42
Rot. Bonds5

About N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine

N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine (PubChem CID 24508581) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
PubChem CID24508581
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
SMILESCc1ccc(C(CN2CCOCC2)Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C21H24N4O/c1-16-6-8-17(9-7-16)20(14-25-10-12-26-13-11-25)24-21-18-4-2-3-5-19(18)22-15-23-21/h2-9,15,20H,10-14H2,1H3,(H,22,23,24)
InChIKeyFVSNEROFGFQFPH-UHFFFAOYSA-N
XLogP3.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 154858031
1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 25316013
5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine
CID 138994630
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 24508583
4-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-3-nitrochromen-2-one
CID 31475700
N-(1,2-diphenylethyl)quinazolin-4-amine
CID 67604516
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144929
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 26995174
2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144717
2-chloro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 8844524
3-(4-ethoxyphenyl)-2-[[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]methyl]quinazolin-4-one;sulfuric acid
CID 47011223

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine?
The IUPAC name of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine (CID 24508581) is N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine?
The canonical SMILES for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine is Cc1ccc(C(CN2CCOCC2)Nc2ncnc3ccccc23)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine?
The InChIKey is FVSNEROFGFQFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-6-8-17(9-7-16)20(14-25-10-12-26-13-11-25)24-21-18-4-2-3-5-19(18)22-15-23-21/h2-9,15,20H,10-14H2,1H3,(H,22,23,24).
What are the key properties of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine?
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine is sourced from PubChem (CID 24508581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).