2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine

C61H58N12O2 — CID 88617445

IUPAC2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N(C)c2ccccc2)c2ccccc2n1.COc1cccc2c(N(C)c3ccccc3)nc(Nc3ccccc3C)nc12.COc1cccc2c(Nc3ccccc3C)nc(N)nc12
InChIInChI=1S/C23H22N4O.C22H20N4.C16H16N4O/c1-16-10-7-8-14-19(16)24-23-25-21-18(13-9-15-20(21)28-3)22(26-23)27(2)17-11-5-4-6-12-17;1-25(17-11-5-3-6-12-17)21-19-15-9-10-16-20(19)23-22(24-21)26(2)18-13-7-4-8-14-18;1-10-6-3-4-8-12(10)18-15-11-7-5-9-13(21-2)14(11)19-16(17)20-15/h4-15H,1-3H3,(H,24,25,26);3-16H,1-2H3;3-9H,1-2H3,(H3,17,18,19,20)
InChIKeyRFBRFXBHXBJGJR-UHFFFAOYSA-N
MW991.22 g/mol
LogP13.90
Rot. Bonds12

About 2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine

2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine (PubChem CID 88617445) has the molecular formula C61H58N12O2 and a molecular weight of 991.22 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine
PubChem CID88617445
Molecular FormulaC61H58N12O2
Molecular Weight991.22 g/mol
Exact Mass990.48
IUPAC Name2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCN(c1ccccc1)c1nc(N(C)c2ccccc2)c2ccccc2n1.COc1cccc2c(N(C)c3ccccc3)nc(Nc3ccccc3C)nc12.COc1cccc2c(Nc3ccccc3C)nc(N)nc12
InChIInChI=1S/C23H22N4O.C22H20N4.C16H16N4O/c1-16-10-7-8-14-19(16)24-23-25-21-18(13-9-15-20(21)28-3)22(26-23)27(2)17-11-5-4-6-12-17;1-25(17-11-5-3-6-12-17)21-19-15-9-10-16-20(19)23-22(24-21)26(2)18-13-7-4-8-14-18;1-10-6-3-4-8-12(10)18-15-11-7-5-9-13(21-2)14(11)19-16(17)20-15/h4-15H,1-3H3,(H,24,25,26);3-16H,1-2H3;3-9H,1-2H3,(H3,17,18,19,20)
InChIKeyRFBRFXBHXBJGJR-UHFFFAOYSA-N
XLogP13.90
TPSA155.60 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500991.22
LogP ≤ 513.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine (CID 88617445) is 2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine is CN(c1ccccc1)c1nc(N(C)c2ccccc2)c2ccccc2n1.COc1cccc2c(N(C)c3ccccc3)nc(Nc3ccccc3C)nc12.COc1cccc2c(Nc3ccccc3C)nc(N)nc12.
What is the InChIKey of 2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is RFBRFXBHXBJGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O.C22H20N4.C16H16N4O/c1-16-10-7-8-14-19(16)24-23-25-21-18(13-9-15-20(21)28-3)22(26-23)27(2)17-11-5-4-6-12-17;1-25(17-11-5-3-6-12-17)21-19-15-9-10-16-20(19)23-22(24-21)26(2)18-13-7-4-8-14-18;1-10-6-3-4-8-12(10)18-15-11-7-5-9-13(21-2)14(11)19-16(17)20-15/h4-15H,1-3H3,(H,24,25,26);3-16H,1-2H3;3-9H,1-2H3,(H3,17,18,19,20).
What are the key properties of 2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 991.22 g/mol, XLogP of 13.90, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N,4-N-diphenylquinazoline-2,4-diamine;8-methoxy-4-N-methyl-2-N-(2-methylphenyl)-4-N-phenylquinazoline-2,4-diamine;8-methoxy-4-N-(2-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 88617445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).