2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide

C23H16ClN5O2 — CID 25145808

IUPAC2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide
SMILESCNC(=O)c1ccc(-c2cnc3ncc(Oc4ccc5ncccc5c4)n3c2)cc1Cl
InChIInChI=1S/C23H16ClN5O2/c1-25-22(30)18-6-4-14(10-19(18)24)16-11-27-23-28-12-21(29(23)13-16)31-17-5-7-20-15(9-17)3-2-8-26-20/h2-13H,1H3,(H,25,30)
InChIKeyAJCHYDXTULVLRV-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.75
Rot. Bonds4

About 2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide

2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide (PubChem CID 25145808) has the molecular formula C23H16ClN5O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is 2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide
PubChem CID25145808
Molecular FormulaC23H16ClN5O2
Molecular Weight429.87 g/mol
Exact Mass429.10
IUPAC Name2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide
SMILESCNC(=O)c1ccc(-c2cnc3ncc(Oc4ccc5ncccc5c4)n3c2)cc1Cl
InChIInChI=1S/C23H16ClN5O2/c1-25-22(30)18-6-4-14(10-19(18)24)16-11-27-23-28-12-21(29(23)13-16)31-17-5-7-20-15(9-17)3-2-8-26-20/h2-13H,1H3,(H,25,30)
InChIKeyAJCHYDXTULVLRV-UHFFFAOYSA-N
XLogP4.75
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide (CID 25145808) is 2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide is CNC(=O)c1ccc(-c2cnc3ncc(Oc4ccc5ncccc5c4)n3c2)cc1Cl.
What is the InChIKey of 2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is AJCHYDXTULVLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2/c1-25-22(30)18-6-4-14(10-19(18)24)16-11-27-23-28-12-21(29(23)13-16)31-17-5-7-20-15(9-17)3-2-8-26-20/h2-13H,1H3,(H,25,30).
What are the key properties of 2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide?
2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 429.87 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-4-(3-quinolin-6-yloxyimidazo[1,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 25145808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).