8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

C15H17N3O — CID 134817498

IUPAC8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2
InChIInChI=1S/C15H17N3O/c1-15(2)7-9-6-10(19-3)4-5-11(9)13-12(15)14(16)18-8-17-13/h4-6,8H,7H2,1-3H3,(H2,16,17,18)
InChIKeyJWHJIHHTDSIYQK-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.57
Rot. Bonds1

About 8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine

8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (PubChem CID 134817498) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
PubChem CID134817498
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine
SMILESCOc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2
InChIInChI=1S/C15H17N3O/c1-15(2)7-9-6-10(19-3)4-5-11(9)13-12(15)14(16)18-8-17-13/h4-6,8H,7H2,1-3H3,(H2,16,17,18)
InChIKeyJWHJIHHTDSIYQK-UHFFFAOYSA-N
XLogP2.57
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Methoxyphenyl)quinazolin-4-amine
CID 90054634
4-(4-Tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidine
CID 16749545
6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamine
CID 10466996
6-(4-Methoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 483229
6-(3-Methoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 484956
7-(4-Methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 2817025
4,5-Bis(4-methoxyphenyl)pyrimidin-2-amine
CID 3809552
8-Methoxy-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 264319
6-(4-Methoxyphenyl)-4-quinazolinamine
CID 90054623
7-Methoxy-5,6-dihydrobenzo[f]quinazoline-1,3-diamine
CID 490673
5-(Aminomethyl)-6-(4-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236556
6-(3-methoxyphenyl)-N-methylquinazolin-4-amine
CID 3232619

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine (CID 134817498) is 8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is COc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2.
What is the InChIKey of 8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
The InChIKey is JWHJIHHTDSIYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(2)7-9-6-10(19-3)4-5-11(9)13-12(15)14(16)18-8-17-13/h4-6,8H,7H2,1-3H3,(H2,16,17,18).
What are the key properties of 8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine?
8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5,5-dimethyl-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 134817498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).