N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide

C16H16N4O — CID 139005259

IUPACN-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(C)c2C)nc2ccccc12
InChIInChI=1S/C16H16N4O/c1-10-8-14(18-13-7-5-4-6-12(10)13)16(21)19-15-9-17-20(3)11(15)2/h4-9H,1-3H3,(H,19,21)
InChIKeyBIYSBPUAKVDGAZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.84
Rot. Bonds2

About N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide

N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide (PubChem CID 139005259) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide
PubChem CID139005259
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(C)c2C)nc2ccccc12
InChIInChI=1S/C16H16N4O/c1-10-8-14(18-13-7-5-4-6-12(10)13)16(21)19-15-9-17-20(3)11(15)2/h4-9H,1-3H3,(H,19,21)
InChIKeyBIYSBPUAKVDGAZ-UHFFFAOYSA-N
XLogP2.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide (CID 139005259) is N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide is Cc1cc(C(=O)Nc2cnn(C)c2C)nc2ccccc12.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide?
The InChIKey is BIYSBPUAKVDGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-8-14(18-13-7-5-4-6-12(10)13)16(21)19-15-9-17-20(3)11(15)2/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide is sourced from PubChem (CID 139005259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).