5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine

C22H25ClN4O — CID 25003846

IUPAC5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCC(Cc4ccccc4Cl)CC3)cccc2n1
InChIInChI=1S/C22H25ClN4O/c23-17-5-2-1-4-16(17)12-14-8-10-15(11-9-14)13-28-19-7-3-6-18-20(19)21(24)27-22(25)26-18/h1-7,14-15H,8-13H2,(H4,24,25,26,27)
InChIKeyICFFFJFTSSXHBU-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.88
Rot. Bonds5

About 5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine

5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine (PubChem CID 25003846) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine
PubChem CID25003846
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OCC3CCC(Cc4ccccc4Cl)CC3)cccc2n1
InChIInChI=1S/C22H25ClN4O/c23-17-5-2-1-4-16(17)12-14-8-10-15(11-9-14)13-28-19-7-3-6-18-20(19)21(24)27-22(25)26-18/h1-7,14-15H,8-13H2,(H4,24,25,26,27)
InChIKeyICFFFJFTSSXHBU-UHFFFAOYSA-N
XLogP4.88
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine (CID 25003846) is 5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OCC3CCC(Cc4ccccc4Cl)CC3)cccc2n1.
What is the InChIKey of 5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine?
The InChIKey is ICFFFJFTSSXHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c23-17-5-2-1-4-16(17)12-14-8-10-15(11-9-14)13-28-19-7-3-6-18-20(19)21(24)27-22(25)26-18/h1-7,14-15H,8-13H2,(H4,24,25,26,27).
What are the key properties of 5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine?
5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine has a molecular weight of 396.92 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-chlorophenyl)methyl]cyclohexyl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 25003846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).