6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C22H28N6O — CID 130446838

IUPAC6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCc1ncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)[nH]1
InChIInChI=1S/C22H28N6O/c1-15-23-13-21(26-15)16-2-7-20-19(12-16)22(25-14-24-20)27-17-3-5-18(6-4-17)28-8-10-29-11-9-28/h2,7,12-14,17-18H,3-6,8-11H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyHNWLKIDFEUYRCO-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.38
Rot. Bonds4

About 6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 130446838) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID130446838
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCc1ncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)[nH]1
InChIInChI=1S/C22H28N6O/c1-15-23-13-21(26-15)16-2-7-20-19(12-16)22(25-14-24-20)27-17-3-5-18(6-4-17)28-8-10-29-11-9-28/h2,7,12-14,17-18H,3-6,8-11H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyHNWLKIDFEUYRCO-UHFFFAOYSA-N
XLogP3.38
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 130446838) is 6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is Cc1ncc(-c2ccc3ncnc(NC4CCC(N5CCOCC5)CC4)c3c2)[nH]1.
What is the InChIKey of 6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is HNWLKIDFEUYRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15-23-13-21(26-15)16-2-7-20-19(12-16)22(25-14-24-20)27-17-3-5-18(6-4-17)28-8-10-29-11-9-28/h2,7,12-14,17-18H,3-6,8-11H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of 6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 392.51 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 130446838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).