2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol

C24H26N4O — CID 19988726

IUPAC2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
SMILESCCO.Cc1ccccc1Nc1nc(Nc2ccccc2C)c2ccccc2n1
InChIInChI=1S/C22H20N4.C2H6O/c1-15-9-3-6-12-18(15)23-21-17-11-5-8-14-20(17)25-22(26-21)24-19-13-7-4-10-16(19)2;1-2-3/h3-14H,1-2H3,(H2,23,24,25,26);3H,2H2,1H3
InChIKeyASDWXVVRTUHIQY-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.73
Rot. Bonds4

About 2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol

2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol (PubChem CID 19988726) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol.

Molecular Properties

Compound Name2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
PubChem CID19988726
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol
SMILESCCO.Cc1ccccc1Nc1nc(Nc2ccccc2C)c2ccccc2n1
InChIInChI=1S/C22H20N4.C2H6O/c1-15-9-3-6-12-18(15)23-21-17-11-5-8-14-20(17)25-22(26-21)24-19-13-7-4-10-16(19)2;1-2-3/h3-14H,1-2H3,(H2,23,24,25,26);3H,2H2,1H3
InChIKeyASDWXVVRTUHIQY-UHFFFAOYSA-N
XLogP5.73
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol?
The IUPAC name of 2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol (CID 19988726) is 2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol.
What is the SMILES notation for 2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol?
The canonical SMILES for 2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol is CCO.Cc1ccccc1Nc1nc(Nc2ccccc2C)c2ccccc2n1.
What is the InChIKey of 2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol?
The InChIKey is ASDWXVVRTUHIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4.C2H6O/c1-15-9-3-6-12-18(15)23-21-17-11-5-8-14-20(17)25-22(26-21)24-19-13-7-4-10-16(19)2;1-2-3/h3-14H,1-2H3,(H2,23,24,25,26);3H,2H2,1H3.
What are the key properties of 2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol?
2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol has a molecular weight of 386.50 g/mol, XLogP of 5.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-methylphenyl)quinazoline-2,4-diamine;ethanol is sourced from PubChem (CID 19988726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).