5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine

C21H26N4 — CID 134817499

IUPAC5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine
SMILESC=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CCNCC1
InChIInChI=1S/C21H26N4/c1-13(14-6-8-23-9-7-14)15-4-5-17-16(10-15)11-21(2,3)18-19(17)24-12-25-20(18)22/h4-5,10,12,14,23H,1,6-9,11H2,2-3H3,(H2,22,24,25)
InChIKeyCFHXHGOVQUZDEY-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.57
Rot. Bonds2

About 5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine

5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine (PubChem CID 134817499) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine
PubChem CID134817499
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine
SMILESC=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CCNCC1
InChIInChI=1S/C21H26N4/c1-13(14-6-8-23-9-7-14)15-4-5-17-16(10-15)11-21(2,3)18-19(17)24-12-25-20(18)22/h4-5,10,12,14,23H,1,6-9,11H2,2-3H3,(H2,22,24,25)
InChIKeyCFHXHGOVQUZDEY-UHFFFAOYSA-N
XLogP3.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine with MolForge

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Related Compounds

6-(Piperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25071940
6-(4-Methylpiperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25128822
(1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine
CID 25199517
(6s)-6-Phenyl-5,6-Dihydrobenzo[h]quinazolin-2-Amine
CID 51346202
5,6-Dihydrobenzo[h]quinazolin-2-amine
CID 2763483
2-(4-tert-butylphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 1185486
(1S,17R)-14-(cyclopropylmethyl)-1,17-dimethyl-4,6,14-triazatetracyclo[11.3.1.0^{2,11}.0^{3,8}]heptadeca-2,4,6,8,10-pentaen-7-amine
CID 44577468
N-naphthalen-1-yl-N'-quinazolin-4-ylethane-1,2-diamine
CID 9120377
5-chloro-6-ethyl-N-(1-(naphthalen-2-yl)ethyl)pyrimidin-4-amine
CID 16076199
5-[(4-Methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 23323042
4-(4-Methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine
CID 25129880
1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-amine
CID 25216880

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine (CID 134817499) is 5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine is C=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CCNCC1.
What is the InChIKey of 5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine?
The InChIKey is CFHXHGOVQUZDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-13(14-6-8-23-9-7-14)15-4-5-17-16(10-15)11-21(2,3)18-19(17)24-12-25-20(18)22/h4-5,10,12,14,23H,1,6-9,11H2,2-3H3,(H2,22,24,25).
What are the key properties of 5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine?
5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine has a molecular weight of 334.47 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-(1-piperidin-4-ylethenyl)-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 134817499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).