N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine

C27H25FN4O2 — CID 138689639

IUPACN-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(CCc4ccccc4)cn23)c(OC)c1
InChIInChI=1S/C27H25FN4O2/c1-33-21-14-12-19(24(15-21)34-2)16-29-27-31-25-22(9-6-10-23(25)28)26-30-20(17-32(26)27)13-11-18-7-4-3-5-8-18/h3-10,12,14-15,17H,11,13,16H2,1-2H3,(H,29,31)
InChIKeyGEZRKUBSXOLZSR-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.44
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine

N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine (PubChem CID 138689639) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine
PubChem CID138689639
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine
SMILESCOc1ccc(CNc2nc3c(F)cccc3c3nc(CCc4ccccc4)cn23)c(OC)c1
InChIInChI=1S/C27H25FN4O2/c1-33-21-14-12-19(24(15-21)34-2)16-29-27-31-25-22(9-6-10-23(25)28)26-30-20(17-32(26)27)13-11-18-7-4-3-5-8-18/h3-10,12,14-15,17H,11,13,16H2,1-2H3,(H,29,31)
InChIKeyGEZRKUBSXOLZSR-UHFFFAOYSA-N
XLogP5.44
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine (CID 138689639) is N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine is COc1ccc(CNc2nc3c(F)cccc3c3nc(CCc4ccccc4)cn23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine?
The InChIKey is GEZRKUBSXOLZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-33-21-14-12-19(24(15-21)34-2)16-29-27-31-25-22(9-6-10-23(25)28)26-30-20(17-32(26)27)13-11-18-7-4-3-5-8-18/h3-10,12,14-15,17H,11,13,16H2,1-2H3,(H,29,31).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine?
N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine has a molecular weight of 456.52 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-2-(2-phenylethyl)imidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138689639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).