2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide

C19H18N4O2 — CID 173151841

IUPAC2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide
SMILESNC(=O)c1ccccc1CCCC(=O)Nc1cc2ccccc2nn1
InChIInChI=1S/C19H18N4O2/c20-19(25)15-9-3-1-6-13(15)8-5-11-18(24)21-17-12-14-7-2-4-10-16(14)22-23-17/h1-4,6-7,9-10,12H,5,8,11H2,(H2,20,25)(H,21,23,24)
InChIKeyPAURZHWZUUNFFX-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide

2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide (PubChem CID 173151841) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide
PubChem CID173151841
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide
SMILESNC(=O)c1ccccc1CCCC(=O)Nc1cc2ccccc2nn1
InChIInChI=1S/C19H18N4O2/c20-19(25)15-9-3-1-6-13(15)8-5-11-18(24)21-17-12-14-7-2-4-10-16(14)22-23-17/h1-4,6-7,9-10,12H,5,8,11H2,(H2,20,25)(H,21,23,24)
InChIKeyPAURZHWZUUNFFX-UHFFFAOYSA-N
XLogP2.69
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-oxo-4-(quinolin-3-ylamino)butyl]-5-(trifluoromethyl)benzamide
CID 173151952
2-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 87127603
2-[3-[(2-bromoacetyl)amino]propyl]benzamide
CID 71433070
2-butylbenzamide
CID 15468173
2-(3-chloropropyl)benzamide
CID 135741565
2-[3-oxo-3-(quinolin-3-ylamino)propyl]-5-(trifluoromethyl)benzamide
CID 173151982
2-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 173161796
2-(3-naphthalen-1-ylpropanoylamino)benzamide
CID 53278686
2-[2-(butanoylamino)ethyl]benzamide
CID 66868335
2-octylbenzamide
CID 11148995
2-(2-anilino-2-oxoethyl)benzamide
CID 173153266
3-(2-hydroxyphenyl)-N-quinolin-2-ylpropanamide
CID 46654912

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide?
The IUPAC name of 2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide (CID 173151841) is 2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide?
The canonical SMILES for 2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide is NC(=O)c1ccccc1CCCC(=O)Nc1cc2ccccc2nn1.
What is the InChIKey of 2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide?
The InChIKey is PAURZHWZUUNFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-19(25)15-9-3-1-6-13(15)8-5-11-18(24)21-17-12-14-7-2-4-10-16(14)22-23-17/h1-4,6-7,9-10,12H,5,8,11H2,(H2,20,25)(H,21,23,24).
What are the key properties of 2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide?
2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide has a molecular weight of 334.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 173151841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).