N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide

C18H14N4O — CID 10518459

IUPACN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide
SMILESCC(=O)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H14N4O/c1-12(23)19-18-17-15(14-9-5-6-10-16(14)20-18)11-22(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,23)
InChIKeyLJFRBCQBJFKUBA-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.53
Rot. Bonds2

About N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide

N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide (PubChem CID 10518459) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide
PubChem CID10518459
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC NameN-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide
SMILESCC(=O)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C18H14N4O/c1-12(23)19-18-17-15(14-9-5-6-10-16(14)20-18)11-22(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,23)
InChIKeyLJFRBCQBJFKUBA-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
Bms-986299
CID 137498152
N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
CID 6539526
N-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-{trans-4-[(quinazolin-2-yl)amino]cyclohexyl}acetamide
CID 134812662
[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea
CID 71253517
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-phenylethyl)urea
CID 71555243
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
CID 86303027
1-[3-(6-methylpyridazin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044553
1-(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)imidazolidin-2-one
CID 118660806
2-[5-(3-methylphenyl)-4-pyridin-4-yltriazol-1-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134141231
2-(5-Phenyl-4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)-N-(5-phenylpyridin-2-yl)acetamide
CID 134154594

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
The IUPAC name of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide (CID 10518459) is N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide.
What is the SMILES notation for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
The canonical SMILES for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide is CC(=O)Nc1nc2ccccc2c2cn(-c3ccccc3)nc12.
What is the InChIKey of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
The InChIKey is LJFRBCQBJFKUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-12(23)19-18-17-15(14-9-5-6-10-16(14)20-18)11-22(21-17)13-7-3-2-4-8-13/h2-11H,1H3,(H,19,20,23).
What are the key properties of N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide?
N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide has a molecular weight of 302.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpyrazolo[3,4-c]quinolin-4-yl)acetamide is sourced from PubChem (CID 10518459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).