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

C22H22ClN5O2 — CID 169155217

IUPAC6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
SMILESCCc1nc2c([C@@H](C)Nc3ccc(Cl)nc3C(=O)O)cc(C)cc2c2nc(C)cn12
InChIInChI=1S/C22H22ClN5O2/c1-5-18-27-19-14(8-11(2)9-15(19)21-24-12(3)10-28(18)21)13(4)25-16-6-7-17(23)26-20(16)22(29)30/h6-10,13,25H,5H2,1-4H3,(H,29,30)/t13-/m1/s1
InChIKeyLRDYRUPHMWQEIF-CYBMUJFWSA-N
MW423.90 g/mol
LogP4.98
Rot. Bonds5

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

6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid (PubChem CID 169155217) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
PubChem CID169155217
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid
SMILESCCc1nc2c([C@@H](C)Nc3ccc(Cl)nc3C(=O)O)cc(C)cc2c2nc(C)cn12
InChIInChI=1S/C22H22ClN5O2/c1-5-18-27-19-14(8-11(2)9-15(19)21-24-12(3)10-28(18)21)13(4)25-16-6-7-17(23)26-20(16)22(29)30/h6-10,13,25H,5H2,1-4H3,(H,29,30)/t13-/m1/s1
InChIKeyLRDYRUPHMWQEIF-CYBMUJFWSA-N
XLogP4.98
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.98
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-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid (CID 169155217) is 6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[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-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid is CCc1nc2c([C@@H](C)Nc3ccc(Cl)nc3C(=O)O)cc(C)cc2c2nc(C)cn12.
What is the InChIKey of 6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
The InChIKey is LRDYRUPHMWQEIF-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-5-18-27-19-14(8-11(2)9-15(19)21-24-12(3)10-28(18)21)13(4)25-16-6-7-17(23)26-20(16)22(29)30/h6-10,13,25H,5H2,1-4H3,(H,29,30)/t13-/m1/s1.
What are the key properties of 6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid?
6-chloro-3-[[(1R)-1-(5-ethyl-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid has a molecular weight of 423.90 g/mol, XLogP of 4.98, 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-2,9-dimethylimidazo[1,2-c]quinazolin-7-yl)ethyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 169155217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).