7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide

C22H20FN5O — CID 29026289

IUPAC7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide
SMILESCc1cccnc1CN(C)C(=O)c1cc(-c2cnn(C)c2)nc2cc(F)ccc12
InChIInChI=1S/C22H20FN5O/c1-14-5-4-8-24-21(14)13-27(2)22(29)18-10-19(15-11-25-28(3)12-15)26-20-9-16(23)6-7-17(18)20/h4-12H,13H2,1-3H3
InChIKeyRYOCQTYLBQUOFI-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.75
Rot. Bonds4

About 7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide

7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide (PubChem CID 29026289) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide
PubChem CID29026289
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide
SMILESCc1cccnc1CN(C)C(=O)c1cc(-c2cnn(C)c2)nc2cc(F)ccc12
InChIInChI=1S/C22H20FN5O/c1-14-5-4-8-24-21(14)13-27(2)22(29)18-10-19(15-11-25-28(3)12-15)26-20-9-16(23)6-7-17(18)20/h4-12H,13H2,1-3H3
InChIKeyRYOCQTYLBQUOFI-UHFFFAOYSA-N
XLogP3.75
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide (CID 29026289) is 7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide is Cc1cccnc1CN(C)C(=O)c1cc(-c2cnn(C)c2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide?
The InChIKey is RYOCQTYLBQUOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-14-5-4-8-24-21(14)13-27(2)22(29)18-10-19(15-11-25-28(3)12-15)26-20-9-16(23)6-7-17(18)20/h4-12H,13H2,1-3H3.
What are the key properties of 7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide?
7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-2-(1-methylpyrazol-4-yl)-N-[(3-methyl-2-pyridinyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 29026289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).