N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide

C19H18N4O2 — CID 91782979

IUPACN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide
SMILESO=C(NC(c1cnc2ccccc2c1)C1CC(O)C1)c1ccnnc1
InChIInChI=1S/C19H18N4O2/c24-16-8-14(9-16)18(23-19(25)13-5-6-21-22-11-13)15-7-12-3-1-2-4-17(12)20-10-15/h1-7,10-11,14,16,18,24H,8-9H2,(H,23,25)
InChIKeyKJHQUDMOTQXYDH-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.27
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide (PubChem CID 91782979) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide
PubChem CID91782979
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide
SMILESO=C(NC(c1cnc2ccccc2c1)C1CC(O)C1)c1ccnnc1
InChIInChI=1S/C19H18N4O2/c24-16-8-14(9-16)18(23-19(25)13-5-6-21-22-11-13)15-7-12-3-1-2-4-17(12)20-10-15/h1-7,10-11,14,16,18,24H,8-9H2,(H,23,25)
InChIKeyKJHQUDMOTQXYDH-UHFFFAOYSA-N
XLogP2.27
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.27
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]pyridazine-4-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide (CID 91782979) is N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide is O=C(NC(c1cnc2ccccc2c1)C1CC(O)C1)c1ccnnc1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide?
The InChIKey is KJHQUDMOTQXYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-16-8-14(9-16)18(23-19(25)13-5-6-21-22-11-13)15-7-12-3-1-2-4-17(12)20-10-15/h1-7,10-11,14,16,18,24H,8-9H2,(H,23,25).
What are the key properties of N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide?
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.27, 4 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]pyridazine-4-carboxamide is sourced from PubChem (CID 91782979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).