N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine

C16H22N4O — CID 169158023

IUPACN-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
SMILESCNc1ncc2cccc(OC3CCC(NC)CC3)c2n1
InChIInChI=1S/C16H22N4O/c1-17-12-6-8-13(9-7-12)21-14-5-3-4-11-10-19-16(18-2)20-15(11)14/h3-5,10,12-13,17H,6-9H2,1-2H3,(H,18,19,20)
InChIKeyIRJCTJYSZKSXPI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.58
Rot. Bonds4

About N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine

N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine (PubChem CID 169158023) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
PubChem CID169158023
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
SMILESCNc1ncc2cccc(OC3CCC(NC)CC3)c2n1
InChIInChI=1S/C16H22N4O/c1-17-12-6-8-13(9-7-12)21-14-5-3-4-11-10-19-16(18-2)20-15(11)14/h3-5,10,12-13,17H,6-9H2,1-2H3,(H,18,19,20)
InChIKeyIRJCTJYSZKSXPI-UHFFFAOYSA-N
XLogP2.58
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
CID 169158054
ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
CID 169158053
N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
CID 169158095
6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 169158099
N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 58082692
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
CID 169158157
5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
CID 169158231
4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158221
N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine
CID 169158038
N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101585
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine?
The IUPAC name of N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine (CID 169158023) is N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine.
What is the SMILES notation for N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine?
The canonical SMILES for N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine is CNc1ncc2cccc(OC3CCC(NC)CC3)c2n1.
What is the InChIKey of N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine?
The InChIKey is IRJCTJYSZKSXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-17-12-6-8-13(9-7-12)21-14-5-3-4-11-10-19-16(18-2)20-15(11)14/h3-5,10,12-13,17H,6-9H2,1-2H3,(H,18,19,20).
What are the key properties of N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine?
N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine is sourced from PubChem (CID 169158023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).