4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine

C25H29ClN6O — CID 129165729

IUPAC4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine
SMILESCc1noc(C)c1-c1ccc2nc(N(C)CCN(C)C)nc(NCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C25H29ClN6O/c1-16-23(17(2)33-30-16)19-9-10-22-21(14-19)24(27-15-18-7-6-8-20(26)13-18)29-25(28-22)32(5)12-11-31(3)4/h6-10,13-14H,11-12,15H2,1-5H3,(H,27,28,29)
InChIKeyCPQZWBWDXGADIP-UHFFFAOYSA-N
MW465.00 g/mol
LogP5.16
Rot. Bonds8

About 4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine

4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 129165729) has the molecular formula C25H29ClN6O and a molecular weight of 465.00 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine
PubChem CID129165729
Molecular FormulaC25H29ClN6O
Molecular Weight465.00 g/mol
Exact Mass464.21
IUPAC Name4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine
SMILESCc1noc(C)c1-c1ccc2nc(N(C)CCN(C)C)nc(NCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C25H29ClN6O/c1-16-23(17(2)33-30-16)19-9-10-22-21(14-19)24(27-15-18-7-6-8-20(26)13-18)29-25(28-22)32(5)12-11-31(3)4/h6-10,13-14H,11-12,15H2,1-5H3,(H,27,28,29)
InChIKeyCPQZWBWDXGADIP-UHFFFAOYSA-N
XLogP5.16
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine (CID 129165729) is 4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine is Cc1noc(C)c1-c1ccc2nc(N(C)CCN(C)C)nc(NCc3cccc(Cl)c3)c2c1.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is CPQZWBWDXGADIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O/c1-16-23(17(2)33-30-16)19-9-10-22-21(14-19)24(27-15-18-7-6-8-20(26)13-18)29-25(28-22)32(5)12-11-31(3)4/h6-10,13-14H,11-12,15H2,1-5H3,(H,27,28,29).
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine?
4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 465.00 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chlorophenyl)methyl]-2-N-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 129165729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).