N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

C20H22N4O2 — CID 137199377

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCCC1CC2CCC1C2)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C20H22N4O2/c25-19(21-8-7-14-10-12-5-6-13(14)9-12)16-11-22-24-17-4-2-1-3-15(17)20(26)23-18(16)24/h1-4,11-14H,5-10H2,(H,21,25)(H,23,26)
InChIKeyZKMLSHWJSMKPIC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 137199377) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID137199377
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESO=C(NCCC1CC2CCC1C2)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C20H22N4O2/c25-19(21-8-7-14-10-12-5-6-13(14)9-12)16-11-22-24-17-4-2-1-3-15(17)20(26)23-18(16)24/h1-4,11-14H,5-10H2,(H,21,25)(H,23,26)
InChIKeyZKMLSHWJSMKPIC-UHFFFAOYSA-N
XLogP2.73
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide with MolForge

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136697105
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137049992
N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 98784775
2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 136990430
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide
CID 112835510
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide
CID 71881693
4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid
CID 136949456
3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925375
2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98755527
N-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 98365172
(2S)-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 136942108

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (CID 137199377) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is O=C(NCCC1CC2CCC1C2)c1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is ZKMLSHWJSMKPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(21-8-7-14-10-12-5-6-13(14)9-12)16-11-22-24-17-4-2-1-3-15(17)20(26)23-18(16)24/h1-4,11-14H,5-10H2,(H,21,25)(H,23,26).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 137199377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).