6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C21H28N4O2 — CID 123964283

IUPAC6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCOC=Cc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C21H28N4O2/c1-26-11-8-16-2-7-20-19(14-16)21(23-15-22-20)24-17-3-5-18(6-4-17)25-9-12-27-13-10-25/h2,7-8,11,14-15,17-18H,3-6,9-10,12-13H2,1H3,(H,22,23,24)
InChIKeyIPGGBMGFTALAFH-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.30
Rot. Bonds5

About 6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 123964283) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID123964283
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCOC=Cc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C21H28N4O2/c1-26-11-8-16-2-7-20-19(14-16)21(23-15-22-20)24-17-3-5-18(6-4-17)25-9-12-27-13-10-25/h2,7-8,11,14-15,17-18H,3-6,9-10,12-13H2,1H3,(H,22,23,24)
InChIKeyIPGGBMGFTALAFH-UHFFFAOYSA-N
XLogP3.30
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255036
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287
6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446838
7-fluoro-6-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255066
3-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]cyclohex-3-en-1-one
CID 130236172
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
CID 146237654
1-N-[6-[(E)-3-methoxyprop-1-enyl]quinazolin-4-yl]-4-N,4-N-dimethylcyclohexane-1,4-diamine
CID 121255061
N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine
CID 118475382
5-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 140800582
N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine
CID 118475354

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 123964283) is 6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is COC=Cc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1.
What is the InChIKey of 6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is IPGGBMGFTALAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-26-11-8-16-2-7-20-19(14-16)21(23-15-22-20)24-17-3-5-18(6-4-17)25-9-12-27-13-10-25/h2,7-8,11,14-15,17-18H,3-6,9-10,12-13H2,1H3,(H,22,23,24).
What are the key properties of 6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 368.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 123964283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).