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

C20H17ClN4O2 — CID 168967679

IUPAC5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESCC(C)c1cn2c(Nc3cccc(Cl)c3)nc3cc(C(=O)O)ccc3c2n1
InChIInChI=1S/C20H17ClN4O2/c1-11(2)17-10-25-18(23-17)15-7-6-12(19(26)27)8-16(15)24-20(25)22-14-5-3-4-13(21)9-14/h3-11H,1-2H3,(H,22,24)(H,26,27)
InChIKeyRKWYVQNLSKOPAV-UHFFFAOYSA-N
MW380.84 g/mol
LogP5.10
Rot. Bonds4

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

5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid (PubChem CID 168967679) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid
PubChem CID168967679
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid
SMILESCC(C)c1cn2c(Nc3cccc(Cl)c3)nc3cc(C(=O)O)ccc3c2n1
InChIInChI=1S/C20H17ClN4O2/c1-11(2)17-10-25-18(23-17)15-7-6-12(19(26)27)8-16(15)24-20(25)22-14-5-3-4-13(21)9-14/h3-11H,1-2H3,(H,22,24)(H,26,27)
InChIKeyRKWYVQNLSKOPAV-UHFFFAOYSA-N
XLogP5.10
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.84
LogP ≤ 55.10
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-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The IUPAC name of 5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid (CID 168967679) is 5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid.
What is the SMILES notation for 5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The canonical SMILES for 5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid is CC(C)c1cn2c(Nc3cccc(Cl)c3)nc3cc(C(=O)O)ccc3c2n1.
What is the InChIKey of 5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid?
The InChIKey is RKWYVQNLSKOPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-11(2)17-10-25-18(23-17)15-7-6-12(19(26)27)8-16(15)24-20(25)22-14-5-3-4-13(21)9-14/h3-11H,1-2H3,(H,22,24)(H,26,27).
What are the key properties of 5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid?
5-(3-chloroanilino)-2-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid has a molecular weight of 380.84 g/mol, XLogP of 5.10, 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-propan-2-ylimidazo[1,2-c]quinazoline-8-carboxylic acid is sourced from PubChem (CID 168967679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).