6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid

C21H20ClN5O2 — CID 169155292

IUPAC6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
SMILESCCc1nc2c([C@@H](C)Nc3ccc(Cl)nc3C(=O)O)cc(C)cc2c2nccn12
InChIInChI=1S/C21H20ClN5O2/c1-4-17-26-18-13(9-11(2)10-14(18)20-23-7-8-27(17)20)12(3)24-15-5-6-16(22)25-19(15)21(28)29/h5-10,12,24H,4H2,1-3H3,(H,28,29)/t12-/m1/s1
InChIKeyIOZPQDWKSRTTFI-GFCCVEGCSA-N
MW409.88 g/mol
LogP4.67
Rot. Bonds5

About 6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid

6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid (PubChem CID 169155292) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
PubChem CID169155292
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
SMILESCCc1nc2c([C@@H](C)Nc3ccc(Cl)nc3C(=O)O)cc(C)cc2c2nccn12
InChIInChI=1S/C21H20ClN5O2/c1-4-17-26-18-13(9-11(2)10-14(18)20-23-7-8-27(17)20)12(3)24-15-5-6-16(22)25-19(15)21(28)29/h5-10,12,24H,4H2,1-3H3,(H,28,29)/t12-/m1/s1
InChIKeyIOZPQDWKSRTTFI-GFCCVEGCSA-N
XLogP4.67
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid (CID 169155292) is 6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid is CCc1nc2c([C@@H](C)Nc3ccc(Cl)nc3C(=O)O)cc(C)cc2c2nccn12.
What is the InChIKey of 6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
The InChIKey is IOZPQDWKSRTTFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-4-17-26-18-13(9-11(2)10-14(18)20-23-7-8-27(17)20)12(3)24-15-5-6-16(22)25-19(15)21(28)29/h5-10,12,24H,4H2,1-3H3,(H,28,29)/t12-/m1/s1.
What are the key properties of 6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid has a molecular weight of 409.88 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(1R)-1-(5-ethyl-9-methylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 169155292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).