2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine

C23H24N4 — CID 174278917

IUPAC2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCC1=CC=CCC1(C)Nc1nc(Nc2ccccc2C)c2ccccc2n1
InChIInChI=1S/C23H24N4/c1-16-10-4-6-13-19(16)24-21-18-12-5-7-14-20(18)25-22(26-21)27-23(3)15-9-8-11-17(23)2/h4-14H,15H2,1-3H3,(H2,24,25,26,27)
InChIKeyNINVFGNEPXFGIT-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.76
Rot. Bonds4

About 2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine

2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine (PubChem CID 174278917) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine
PubChem CID174278917
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCC1=CC=CCC1(C)Nc1nc(Nc2ccccc2C)c2ccccc2n1
InChIInChI=1S/C23H24N4/c1-16-10-4-6-13-19(16)24-21-18-12-5-7-14-20(18)25-22(26-21)27-23(3)15-9-8-11-17(23)2/h4-14H,15H2,1-3H3,(H2,24,25,26,27)
InChIKeyNINVFGNEPXFGIT-UHFFFAOYSA-N
XLogP5.76
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine (CID 174278917) is 2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine is CC1=CC=CCC1(C)Nc1nc(Nc2ccccc2C)c2ccccc2n1.
What is the InChIKey of 2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is NINVFGNEPXFGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-16-10-4-6-13-19(16)24-21-18-12-5-7-14-20(18)25-22(26-21)27-23(3)15-9-8-11-17(23)2/h4-14H,15H2,1-3H3,(H2,24,25,26,27).
What are the key properties of 2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 356.47 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-4-N-(2-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 174278917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).