2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine

C20H18ClFN4O2 — CID 138689401

IUPAC2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(CCl)cn23)c(OC)c1
InChIInChI=1S/C20H18ClFN4O2/c1-27-14-7-6-12(17(8-14)28-2)10-23-20-25-18-15(4-3-5-16(18)22)19-24-13(9-21)11-26(19)20/h3-8,11H,9-10H2,1-2H3,(H,23,25)
InChIKeyQIPKPNXZXMIHBP-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.39
Rot. Bonds6

About 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine

2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine (PubChem CID 138689401) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
PubChem CID138689401
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC Name2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(CCl)cn23)c(OC)c1
InChIInChI=1S/C20H18ClFN4O2/c1-27-14-7-6-12(17(8-14)28-2)10-23-20-25-18-15(4-3-5-16(18)22)19-24-13(9-21)11-26(19)20/h3-8,11H,9-10H2,1-2H3,(H,23,25)
InChIKeyQIPKPNXZXMIHBP-UHFFFAOYSA-N
XLogP4.39
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.39
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]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine (CID 138689401) is 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine is COc1ccc(CNc2nc3c(F)cccc3c3nc(CCl)cn23)c(OC)c1.
What is the InChIKey of 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
The InChIKey is QIPKPNXZXMIHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c1-27-14-7-6-12(17(8-14)28-2)10-23-20-25-18-15(4-3-5-16(18)22)19-24-13(9-21)11-26(19)20/h3-8,11H,9-10H2,1-2H3,(H,23,25).
What are the key properties of 2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine?
2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine has a molecular weight of 400.84 g/mol, XLogP of 4.39, 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]-7-fluoroimidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138689401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).