2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide

C17H22N4O2 — CID 146237653

IUPAC2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide
SMILESCC1CCC(Nc2ncnc3ccc(OCC(N)=O)cc23)CC1
InChIInChI=1S/C17H22N4O2/c1-11-2-4-12(5-3-11)21-17-14-8-13(23-9-16(18)22)6-7-15(14)19-10-20-17/h6-8,10-12H,2-5,9H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyQEPOYTZSIIZJCP-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.48
Rot. Bonds5

About 2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide

2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide (PubChem CID 146237653) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide.

Molecular Properties

Compound Name2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide
PubChem CID146237653
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide
SMILESCC1CCC(Nc2ncnc3ccc(OCC(N)=O)cc23)CC1
InChIInChI=1S/C17H22N4O2/c1-11-2-4-12(5-3-11)21-17-14-8-13(23-9-16(18)22)6-7-15(14)19-10-20-17/h6-8,10-12H,2-5,9H2,1H3,(H2,18,22)(H,19,20,21)
InChIKeyQEPOYTZSIIZJCP-UHFFFAOYSA-N
XLogP2.48
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine
CID 113467100
N-cyclohexyl-6-ethylquinazolin-4-amine
CID 21002570
4-N-(6-cyclopropylquinazolin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 121263781
2-[4-[(3-methylcyclobutyl)amino]phenoxy]acetamide
CID 104860036
2-[4-[(4-propan-2-ylcyclohexyl)amino]phenoxy]acetamide
CID 62708775
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
3-methoxy-1-[4-[(6-methylquinazolin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 133377450
4-[[4-[4-(2-methoxyacetyl)piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile
CID 130274785
4-amino-2-[(6-methoxyquinazolin-4-yl)amino]-4-oxobutanoic acid
CID 21002885
N-cyclopropyl-N-[[5-[4-(cyclopropylamino)quinazolin-6-yl]furan-2-yl]methyl]acetamide
CID 68945902

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide?
The IUPAC name of 2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide (CID 146237653) is 2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide.
What is the SMILES notation for 2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide?
The canonical SMILES for 2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide is CC1CCC(Nc2ncnc3ccc(OCC(N)=O)cc23)CC1.
What is the InChIKey of 2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide?
The InChIKey is QEPOYTZSIIZJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-2-4-12(5-3-11)21-17-14-8-13(23-9-16(18)22)6-7-15(14)19-10-20-17/h6-8,10-12H,2-5,9H2,1H3,(H2,18,22)(H,19,20,21).
What are the key properties of 2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide?
2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide has a molecular weight of 314.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylcyclohexyl)amino]quinazolin-6-yl]oxyacetamide is sourced from PubChem (CID 146237653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).