N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide

C20H22N4O2 — CID 91781261

IUPACN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C20H22N4O2/c25-17-11-15(12-17)20(23-19(26)6-9-24-8-3-7-22-24)16-10-14-4-1-2-5-18(14)21-13-16/h1-5,7-8,10,13,15,17,20,25H,6,9,11-12H2,(H,23,26)
InChIKeyAJIBGTMFHKHJBG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.45
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 91781261) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide
PubChem CID91781261
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)NC(c1cnc2ccccc2c1)C1CC(O)C1
InChIInChI=1S/C20H22N4O2/c25-17-11-15(12-17)20(23-19(26)6-9-24-8-3-7-22-24)16-10-14-4-1-2-5-18(14)21-13-16/h1-5,7-8,10,13,15,17,20,25H,6,9,11-12H2,(H,23,26)
InChIKeyAJIBGTMFHKHJBG-UHFFFAOYSA-N
XLogP2.45
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide (CID 91781261) is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)NC(c1cnc2ccccc2c1)C1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is AJIBGTMFHKHJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-17-11-15(12-17)20(23-19(26)6-9-24-8-3-7-22-24)16-10-14-4-1-2-5-18(14)21-13-16/h1-5,7-8,10,13,15,17,20,25H,6,9,11-12H2,(H,23,26).
What are the key properties of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide?
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 91781261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).