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

C19H15ClN4O2 — CID 168967719

IUPAC5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESCCc1cn2c(Nc3cccc(Cl)c3)nc3cc(C(=O)O)ccc3c2n1
InChIInChI=1S/C19H15ClN4O2/c1-2-13-10-24-17(21-13)15-7-6-11(18(25)26)8-16(15)23-19(24)22-14-5-3-4-12(20)9-14/h3-10H,2H2,1H3,(H,22,23)(H,25,26)
InChIKeyFQEXJULMHHCCEN-UHFFFAOYSA-N
MW366.81 g/mol
LogP4.54
Rot. Bonds4

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

5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid (PubChem CID 168967719) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid
PubChem CID168967719
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESCCc1cn2c(Nc3cccc(Cl)c3)nc3cc(C(=O)O)ccc3c2n1
InChIInChI=1S/C19H15ClN4O2/c1-2-13-10-24-17(21-13)15-7-6-11(18(25)26)8-16(15)23-19(24)22-14-5-3-4-12(20)9-14/h3-10H,2H2,1H3,(H,22,23)(H,25,26)
InChIKeyFQEXJULMHHCCEN-UHFFFAOYSA-N
XLogP4.54
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(4-Chlorophenyl)-3-(ethylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 56835080
Methyl 4-(2-chloro-6-methylphenylamino)imidazo[1,5-a]quinoxaline-8-carboxylate
CID 44337272
4-[8-(2,6-Dimethylphenylamino)imidazo[1,5-a]-pyrazin-5-yl]benzoic acid
CID 44422549
5-(3-Chloroanilino)pyrazino[2,3-c]quinoline-8-carboxylic acid
CID 50942730
5-(3-Chloroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 50942731
5-(3-Chloroanilino)-3-methylpyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53316958
5-(3-Chloroanilino)-3-(cyclopropylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53316959
3,5-Dianilinopyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53316960
5-(3-Fluoroanilino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53319610
5-(3-Chloroanilino)-3-(propan-2-ylamino)pyrimido[4,5-c]quinoline-8-carboxylic acid
CID 53319611

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The IUPAC name of 5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid (CID 168967719) is 5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid.
What is the SMILES notation for 5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The canonical SMILES for 5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid is CCc1cn2c(Nc3cccc(Cl)c3)nc3cc(C(=O)O)ccc3c2n1.
What is the InChIKey of 5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The InChIKey is FQEXJULMHHCCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-2-13-10-24-17(21-13)15-7-6-11(18(25)26)8-16(15)23-19(24)22-14-5-3-4-12(20)9-14/h3-10H,2H2,1H3,(H,22,23)(H,25,26).
What are the key properties of 5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid?
5-(3-chloroanilino)-2-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid has a molecular weight of 366.81 g/mol, XLogP of 4.54, 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-ethylimidazo[1,2-c]quinazoline-8-carboxylic acid is sourced from PubChem (CID 168967719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).