6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane

C20H29BrN4O — CID 144951228

IUPAC6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane
SMILESBrc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1.CC
InChIInChI=1S/C18H23BrN4O.C2H6/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23;1-2/h1,6,11-12,14-15H,2-5,7-10H2,(H,20,21,22);1-2H3
InChIKeyXKKRYVIVXRDKSW-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.47
Rot. Bonds3

About 6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane

6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane (PubChem CID 144951228) has the molecular formula C20H29BrN4O and a molecular weight of 421.38 g/mol. Its IUPAC name is 6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane.

Molecular Properties

Compound Name6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane
PubChem CID144951228
Molecular FormulaC20H29BrN4O
Molecular Weight421.38 g/mol
Exact Mass420.15
IUPAC Name6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane
SMILESBrc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1.CC
InChIInChI=1S/C18H23BrN4O.C2H6/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23;1-2/h1,6,11-12,14-15H,2-5,7-10H2,(H,20,21,22);1-2H3
InChIKeyXKKRYVIVXRDKSW-UHFFFAOYSA-N
XLogP4.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane?
The IUPAC name of 6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane (CID 144951228) is 6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane.
What is the SMILES notation for 6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane?
The canonical SMILES for 6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane is Brc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1.CC.
What is the InChIKey of 6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane?
The InChIKey is XKKRYVIVXRDKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O.C2H6/c19-13-1-6-17-16(11-13)18(21-12-20-17)22-14-2-4-15(5-3-14)23-7-9-24-10-8-23;1-2/h1,6,11-12,14-15H,2-5,7-10H2,(H,20,21,22);1-2H3.
What are the key properties of 6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane?
6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane has a molecular weight of 421.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine;ethane is sourced from PubChem (CID 144951228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).