1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide

C23H21FN4O3 — CID 52535684

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)nn1-c1ccccc1F
InChIInChI=1S/C23H21FN4O3/c1-13-11-20(29)22(27-28(13)19-6-4-3-5-17(19)24)23(31)25-14(2)15-7-9-18-16(12-15)8-10-21(30)26-18/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,25,31)(H,26,30)/t14-/m1/s1
InChIKeyGZSLBRIMGMPNLT-CQSZACIVSA-N
MW420.44 g/mol
LogP3.06
Rot. Bonds4

About 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 52535684) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide
PubChem CID52535684
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)nn1-c1ccccc1F
InChIInChI=1S/C23H21FN4O3/c1-13-11-20(29)22(27-28(13)19-6-4-3-5-17(19)24)23(31)25-14(2)15-7-9-18-16(12-15)8-10-21(30)26-18/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,25,31)(H,26,30)/t14-/m1/s1
InChIKeyGZSLBRIMGMPNLT-CQSZACIVSA-N
XLogP3.06
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide (CID 52535684) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is GZSLBRIMGMPNLT-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-13-11-20(29)22(27-28(13)19-6-4-3-5-17(19)24)23(31)25-14(2)15-7-9-18-16(12-15)8-10-21(30)26-18/h3-7,9,11-12,14H,8,10H2,1-2H3,(H,25,31)(H,26,30)/t14-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 52535684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).