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

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

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Related Compounds

6-ethenyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475339
3-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]cyclohex-3-en-1-one
CID 130236172
6-(methoxymethyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 118475288
6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255036
7-fluoro-6-methyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 121255066
6-[5-(methylamino)-3-pyridinyl]-N-[4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]cyclohexyl]quinazolin-4-amine
CID 130446899
6-(2-methoxyethenyl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 123964283
2-[4-[(4-morpholin-4-ylcyclohexyl)amino]quinazolin-6-yl]acetonitrile
CID 118475287
7-fluoro-6-[5-(methylamino)-3-pyridinyl]-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446931
N-[4-(6-azaspiro[2.5]octan-6-yl)cyclohexyl]-6-bromoquinazolin-4-amine
CID 118475382
N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 68944579
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
CID 146237654

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).