6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

C22H32N4O — CID 121255036

IUPAC6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCCCCc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C22H32N4O/c1-2-3-4-17-5-10-21-20(15-17)22(24-16-23-21)25-18-6-8-19(9-7-18)26-11-13-27-14-12-26/h5,10,15-16,18-19H,2-4,6-9,11-14H2,1H3,(H,23,24,25)
InChIKeyDBZNOMWHCYSISH-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.03
Rot. Bonds6

About 6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine

6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (PubChem CID 121255036) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
PubChem CID121255036
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
SMILESCCCCc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1
InChIInChI=1S/C22H32N4O/c1-2-3-4-17-5-10-21-20(15-17)22(24-16-23-21)25-18-6-8-19(9-7-18)26-11-13-27-14-12-26/h5,10,15-16,18-19H,2-4,6-9,11-14H2,1H3,(H,23,24,25)
InChIKeyDBZNOMWHCYSISH-UHFFFAOYSA-N
XLogP4.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The IUPAC name of 6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine (CID 121255036) is 6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine.
What is the SMILES notation for 6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The canonical SMILES for 6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is CCCCc1ccc2ncnc(NC3CCC(N4CCOCC4)CC3)c2c1.
What is the InChIKey of 6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
The InChIKey is DBZNOMWHCYSISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-2-3-4-17-5-10-21-20(15-17)22(24-16-23-21)25-18-6-8-19(9-7-18)26-11-13-27-14-12-26/h5,10,15-16,18-19H,2-4,6-9,11-14H2,1H3,(H,23,24,25).
What are the key properties of 6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine?
6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine has a molecular weight of 368.53 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine is sourced from PubChem (CID 121255036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).