5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid

C23H15ClN4O2 — CID 168967607

IUPAC5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)n1cc(-c3ccccc3)nc21
InChIInChI=1S/C23H15ClN4O2/c24-16-7-4-8-17(12-16)25-23-27-19-11-15(22(29)30)9-10-18(19)21-26-20(13-28(21)23)14-5-2-1-3-6-14/h1-13H,(H,25,27)(H,29,30)
InChIKeyRYYTVUMRFFSVHF-UHFFFAOYSA-N
MW414.85 g/mol
LogP5.64
Rot. Bonds4

About 5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid

5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid (PubChem CID 168967607) has the molecular formula C23H15ClN4O2 and a molecular weight of 414.85 g/mol. Its IUPAC name is 5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid
PubChem CID168967607
Molecular FormulaC23H15ClN4O2
Molecular Weight414.85 g/mol
Exact Mass414.09
IUPAC Name5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)n1cc(-c3ccccc3)nc21
InChIInChI=1S/C23H15ClN4O2/c24-16-7-4-8-17(12-16)25-23-27-19-11-15(22(29)30)9-10-18(19)21-26-20(13-28(21)23)14-5-2-1-3-6-14/h1-13H,(H,25,27)(H,29,30)
InChIKeyRYYTVUMRFFSVHF-UHFFFAOYSA-N
XLogP5.64
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.85
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The IUPAC name of 5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid (CID 168967607) is 5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid.
What is the SMILES notation for 5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The canonical SMILES for 5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)n1cc(-c3ccccc3)nc21.
What is the InChIKey of 5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The InChIKey is RYYTVUMRFFSVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O2/c24-16-7-4-8-17(12-16)25-23-27-19-11-15(22(29)30)9-10-18(19)21-26-20(13-28(21)23)14-5-2-1-3-6-14/h1-13H,(H,25,27)(H,29,30).
What are the key properties of 5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid?
5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid has a molecular weight of 414.85 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-2-phenylimidazo[1,2-c]quinazoline-8-carboxylic acid is sourced from PubChem (CID 168967607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).