N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide

C18H16BrN3O — CID 171089996

IUPACN-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide
SMILESCc1cnc2ccc(CC(=O)NCc3ccc(Br)cn3)cc2c1
InChIInChI=1S/C18H16BrN3O/c1-12-6-14-7-13(2-5-17(14)21-9-12)8-18(23)22-11-16-4-3-15(19)10-20-16/h2-7,9-10H,8,11H2,1H3,(H,22,23)
InChIKeyPKXPOJUNXKTJIM-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.56
Rot. Bonds4

About N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide

N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide (PubChem CID 171089996) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide
PubChem CID171089996
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide
SMILESCc1cnc2ccc(CC(=O)NCc3ccc(Br)cn3)cc2c1
InChIInChI=1S/C18H16BrN3O/c1-12-6-14-7-13(2-5-17(14)21-9-12)8-18(23)22-11-16-4-3-15(19)10-20-16/h2-7,9-10H,8,11H2,1H3,(H,22,23)
InChIKeyPKXPOJUNXKTJIM-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-hydroxy-3-[[2-(3-methylquinolin-6-yl)acetyl]amino]propyl] acetate
CID 145441114
2-(3-bromoquinolin-6-yl)acetic acid
CID 59320341
4-[(5-bromo-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 69336719
3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586
N-[(5-methylpyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 171090606
2-(3-methylphenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733803
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
2-(4-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 39855034
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
N-[(3-methylquinolin-6-yl)methyl]cyclopropanamine
CID 116997781
methane;methyl 3-methylquinoline-6-carboxylate;(3-methylquinolin-6-yl)methanol
CID 158164435
N-(5-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)acetamide
CID 60655374

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide (CID 171089996) is N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide is Cc1cnc2ccc(CC(=O)NCc3ccc(Br)cn3)cc2c1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide?
The InChIKey is PKXPOJUNXKTJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-12-6-14-7-13(2-5-17(14)21-9-12)8-18(23)22-11-16-4-3-15(19)10-20-16/h2-7,9-10H,8,11H2,1H3,(H,22,23).
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide?
N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide has a molecular weight of 370.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-2-(3-methylquinolin-6-yl)acetamide is sourced from PubChem (CID 171089996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).