8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine

C25H23Cl2N5O — CID 68736299

IUPAC8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)C(c2ccc(Cl)cc2Cl)CCC3)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C25H23Cl2N5O/c1-14-12-28-24(30-14)20-9-7-17(11-22(20)33-2)31-25-29-13-15-4-3-5-19(23(15)32-25)18-8-6-16(26)10-21(18)27/h6-13,19H,3-5H2,1-2H3,(H,28,30)(H,29,31,32)
InChIKeyMLJYRLJOEGOPAN-UHFFFAOYSA-N
MW480.40 g/mol
LogP6.70
Rot. Bonds5

About 8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine

8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 68736299) has the molecular formula C25H23Cl2N5O and a molecular weight of 480.40 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID68736299
Molecular FormulaC25H23Cl2N5O
Molecular Weight480.40 g/mol
Exact Mass479.13
IUPAC Name8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCOc1cc(Nc2ncc3c(n2)C(c2ccc(Cl)cc2Cl)CCC3)ccc1-c1ncc(C)[nH]1
InChIInChI=1S/C25H23Cl2N5O/c1-14-12-28-24(30-14)20-9-7-17(11-22(20)33-2)31-25-29-13-15-4-3-5-19(23(15)32-25)18-8-6-16(26)10-21(18)27/h6-13,19H,3-5H2,1-2H3,(H,28,30)(H,29,31,32)
InChIKeyMLJYRLJOEGOPAN-UHFFFAOYSA-N
XLogP6.70
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.40
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine (CID 68736299) is 8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine is COc1cc(Nc2ncc3c(n2)C(c2ccc(Cl)cc2Cl)CCC3)ccc1-c1ncc(C)[nH]1.
What is the InChIKey of 8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is MLJYRLJOEGOPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O/c1-14-12-28-24(30-14)20-9-7-17(11-22(20)33-2)31-25-29-13-15-4-3-5-19(23(15)32-25)18-8-6-16(26)10-21(18)27/h6-13,19H,3-5H2,1-2H3,(H,28,30)(H,29,31,32).
What are the key properties of 8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine?
8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 480.40 g/mol, XLogP of 6.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 68736299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).