2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine

C20H19ClN4O2 — CID 138689640

IUPAC2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3ccccc3c3nc(CCl)cn23)c(OC)c1
InChIInChI=1S/C20H19ClN4O2/c1-26-15-8-7-13(18(9-15)27-2)11-22-20-24-17-6-4-3-5-16(17)19-23-14(10-21)12-25(19)20/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyFYNDRWMJDUFXPJ-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.25
Rot. Bonds6

About 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine

2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine (PubChem CID 138689640) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine
PubChem CID138689640
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3ccccc3c3nc(CCl)cn23)c(OC)c1
InChIInChI=1S/C20H19ClN4O2/c1-26-15-8-7-13(18(9-15)27-2)11-22-20-24-17-6-4-3-5-16(17)19-23-14(10-21)12-25(19)20/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyFYNDRWMJDUFXPJ-UHFFFAOYSA-N
XLogP4.25
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine (CID 138689640) is 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine is COc1ccc(CNc2nc3ccccc3c3nc(CCl)cn23)c(OC)c1.
What is the InChIKey of 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine?
The InChIKey is FYNDRWMJDUFXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-26-15-8-7-13(18(9-15)27-2)11-22-20-24-17-6-4-3-5-16(17)19-23-14(10-21)12-25(19)20/h3-9,12H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine?
2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine has a molecular weight of 382.85 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138689640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).