6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C20H28N4O2 — CID 118475288

IUPAC6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCOCc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C20H28N4O2/c1-25-13-15-2-7-19-18(12-15)20(22-14-21-19)23-16-3-5-17(6-4-16)24-8-10-26-11-9-24/h2,7,12,14,16-17H,3-6,8-11,13H2,1H3,(H,21,22,23)
InChIKeyCJJBKDNNVDUVGV-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.83
Rot. Bonds5

About 6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 118475288) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID118475288
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCOCc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C20H28N4O2/c1-25-13-15-2-7-19-18(12-15)20(22-14-21-19)23-16-3-5-17(6-4-16)24-8-10-26-11-9-24/h2,7,12,14,16-17H,3-6,8-11,13H2,1H3,(H,21,22,23)
InChIKeyCJJBKDNNVDUVGV-UHFFFAOYSA-N
XLogP2.83
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 118475288) is 6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is COCc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1.
What is the InChIKey of 6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is CJJBKDNNVDUVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-25-13-15-2-7-19-18(12-15)20(22-14-21-19)23-16-3-5-17(6-4-16)24-8-10-26-11-9-24/h2,7,12,14,16-17H,3-6,8-11,13H2,1H3,(H,21,22,23).
What are the key properties of 6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 118475288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).