8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine

C25H31N5O2 — CID 72724798

IUPAC8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1ncc2cccc(NC3CCCCC3)c2n1
InChIInChI=1S/C25H31N5O2/c1-31-23-16-20(30-12-14-32-15-13-30)10-11-21(23)28-25-26-17-18-6-5-9-22(24(18)29-25)27-19-7-3-2-4-8-19/h5-6,9-11,16-17,19,27H,2-4,7-8,12-15H2,1H3,(H,26,28,29)
InChIKeyAAMVRRQCSVQBEQ-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.96
Rot. Bonds6

About 8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine

8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine (PubChem CID 72724798) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine.

Molecular Properties

Compound Name8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine
PubChem CID72724798
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1ncc2cccc(NC3CCCCC3)c2n1
InChIInChI=1S/C25H31N5O2/c1-31-23-16-20(30-12-14-32-15-13-30)10-11-21(23)28-25-26-17-18-6-5-9-22(24(18)29-25)27-19-7-3-2-4-8-19/h5-6,9-11,16-17,19,27H,2-4,7-8,12-15H2,1H3,(H,26,28,29)
InChIKeyAAMVRRQCSVQBEQ-UHFFFAOYSA-N
XLogP4.96
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine?
The IUPAC name of 8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine (CID 72724798) is 8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine.
What is the SMILES notation for 8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine?
The canonical SMILES for 8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine is COc1cc(N2CCOCC2)ccc1Nc1ncc2cccc(NC3CCCCC3)c2n1.
What is the InChIKey of 8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine?
The InChIKey is AAMVRRQCSVQBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-31-23-16-20(30-12-14-32-15-13-30)10-11-21(23)28-25-26-17-18-6-5-9-22(24(18)29-25)27-19-7-3-2-4-8-19/h5-6,9-11,16-17,19,27H,2-4,7-8,12-15H2,1H3,(H,26,28,29).
What are the key properties of 8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine?
8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine has a molecular weight of 433.56 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)quinazoline-2,8-diamine is sourced from PubChem (CID 72724798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).