6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine

C20H20N4O — CID 44531964

IUPAC6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine
SMILESCOc1ccc(C2c3ccccc3-c3nc(N)nc(N)c3C2C)cc1
InChIInChI=1S/C20H20N4O/c1-11-16(12-7-9-13(25-2)10-8-12)14-5-3-4-6-15(14)18-17(11)19(21)24-20(22)23-18/h3-11,16H,1-2H3,(H4,21,22,23,24)
InChIKeySEINHRLAJDFYDA-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.57
Rot. Bonds2

About 6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine

6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine (PubChem CID 44531964) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine
PubChem CID44531964
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine
SMILESCOc1ccc(C2c3ccccc3-c3nc(N)nc(N)c3C2C)cc1
InChIInChI=1S/C20H20N4O/c1-11-16(12-7-9-13(25-2)10-8-12)14-5-3-4-6-15(14)18-17(11)19(21)24-20(22)23-18/h3-11,16H,1-2H3,(H4,21,22,23,24)
InChIKeySEINHRLAJDFYDA-UHFFFAOYSA-N
XLogP3.57
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine?
The IUPAC name of 6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine (CID 44531964) is 6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine?
The canonical SMILES for 6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine is COc1ccc(C2c3ccccc3-c3nc(N)nc(N)c3C2C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine?
The InChIKey is SEINHRLAJDFYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-11-16(12-7-9-13(25-2)10-8-12)14-5-3-4-6-15(14)18-17(11)19(21)24-20(22)23-18/h3-11,16H,1-2H3,(H4,21,22,23,24).
What are the key properties of 6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine?
6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine has a molecular weight of 332.41 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine is sourced from PubChem (CID 44531964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).