8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

C24H32N4 — CID 162654816

IUPAC8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESC=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CCC(N(C)C)CC1
InChIInChI=1S/C24H32N4/c1-15(16-6-9-19(10-7-16)28(4)5)17-8-11-20-18(12-17)13-24(2,3)21-22(20)26-14-27-23(21)25/h8,11-12,14,16,19H,1,6-7,9-10,13H2,2-5H3,(H2,25,26,27)
InChIKeySQVQCVXXKBLSIO-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.69
Rot. Bonds3

About 8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (PubChem CID 162654816) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is 8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
PubChem CID162654816
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESC=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CCC(N(C)C)CC1
InChIInChI=1S/C24H32N4/c1-15(16-6-9-19(10-7-16)28(4)5)17-8-11-20-18(12-17)13-24(2,3)21-22(20)26-14-27-23(21)25/h8,11-12,14,16,19H,1,6-7,9-10,13H2,2-5H3,(H2,25,26,27)
InChIKeySQVQCVXXKBLSIO-UHFFFAOYSA-N
XLogP4.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (CID 162654816) is 8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is C=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CCC(N(C)C)CC1.
What is the InChIKey of 8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The InChIKey is SQVQCVXXKBLSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4/c1-15(16-6-9-19(10-7-16)28(4)5)17-8-11-20-18(12-17)13-24(2,3)21-22(20)26-14-27-23(21)25/h8,11-12,14,16,19H,1,6-7,9-10,13H2,2-5H3,(H2,25,26,27).
What are the key properties of 8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine has a molecular weight of 376.55 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[4-(dimethylamino)cyclohexyl]ethenyl]-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 162654816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).