2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide

C18H19N5O — CID 169419336

IUPAC2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide
SMILESCc1cc(-c2cnc(N(C)C)nc2)nc2cc(CC(N)=O)ccc12
InChIInChI=1S/C18H19N5O/c1-11-6-15(13-9-20-18(21-10-13)23(2)3)22-16-7-12(8-17(19)24)4-5-14(11)16/h4-7,9-10H,8H2,1-3H3,(H2,19,24)
InChIKeyIXGXCKBDXMEDJF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.09
Rot. Bonds4

About 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide

2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide (PubChem CID 169419336) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide
PubChem CID169419336
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide
SMILESCc1cc(-c2cnc(N(C)C)nc2)nc2cc(CC(N)=O)ccc12
InChIInChI=1S/C18H19N5O/c1-11-6-15(13-9-20-18(21-10-13)23(2)3)22-16-7-12(8-17(19)24)4-5-14(11)16/h4-7,9-10H,8H2,1-3H3,(H2,19,24)
InChIKeyIXGXCKBDXMEDJF-UHFFFAOYSA-N
XLogP2.09
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide?
The IUPAC name of 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide (CID 169419336) is 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide.
What is the SMILES notation for 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide?
The canonical SMILES for 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide is Cc1cc(-c2cnc(N(C)C)nc2)nc2cc(CC(N)=O)ccc12.
What is the InChIKey of 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide?
The InChIKey is IXGXCKBDXMEDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-6-15(13-9-20-18(21-10-13)23(2)3)22-16-7-12(8-17(19)24)4-5-14(11)16/h4-7,9-10H,8H2,1-3H3,(H2,19,24).
What are the key properties of 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide?
2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide is sourced from PubChem (CID 169419336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).