3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide

C21H15ClN4O — CID 113036320

IUPAC3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc3cccnc23)cn1)c1cccc(Cl)c1
InChIInChI=1S/C21H15ClN4O/c22-16-7-1-5-15(12-16)21(27)26-19-10-9-17(13-24-19)25-18-8-2-4-14-6-3-11-23-20(14)18/h1-13,25H,(H,24,26,27)
InChIKeyWDIXFYRXIVHANW-UHFFFAOYSA-N
MW374.83 g/mol
LogP5.28
Rot. Bonds4

About 3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide

3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide (PubChem CID 113036320) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide
PubChem CID113036320
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc3cccnc23)cn1)c1cccc(Cl)c1
InChIInChI=1S/C21H15ClN4O/c22-16-7-1-5-15(12-16)21(27)26-19-10-9-17(13-24-19)25-18-8-2-4-14-6-3-11-23-20(14)18/h1-13,25H,(H,24,26,27)
InChIKeyWDIXFYRXIVHANW-UHFFFAOYSA-N
XLogP5.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[6-(quinolin-8-ylamino)-3-pyridinyl]benzamide
CID 113021752
methyl 2-[[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035276
N-[5-(quinolin-8-ylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036290
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
ethyl N-[5-(quinolin-8-ylamino)-2-pyridinyl]carbamate
CID 113036336
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
N-[4-(quinolin-8-ylamino)phenyl]pyridine-3-carboxamide
CID 112989314
N-(5-methyl-1,2-oxazol-3-yl)-5-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109200783
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181
3-chloro-N-[5-(2-methylpropylamino)-2-pyridinyl]benzamide
CID 113024131
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
CID 113050395

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide (CID 113036320) is 3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide is O=C(Nc1ccc(Nc2cccc3cccnc23)cn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide?
The InChIKey is WDIXFYRXIVHANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-16-7-1-5-15(12-16)21(27)26-19-10-9-17(13-24-19)25-18-8-2-4-14-6-3-11-23-20(14)18/h1-13,25H,(H,24,26,27).
What are the key properties of 3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide?
3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide has a molecular weight of 374.83 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(quinolin-8-ylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113036320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).