5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide

C22H22F3N5O2 — CID 169110551

IUPAC5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCN(Cc3cc(F)c4cc(C)c(=O)[nH]c4c3F)CC2)cc1F
InChIInChI=1S/C22H22F3N5O2/c1-12-7-15-16(23)8-13(18(25)19(15)28-21(12)31)11-29-3-5-30(6-4-29)14-9-17(24)20(27-10-14)22(32)26-2/h7-10H,3-6,11H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyRYNXTPJNQRQXTP-UHFFFAOYSA-N
MW445.45 g/mol
LogP2.33
Rot. Bonds4

About 5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide

5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 169110551) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is 5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
PubChem CID169110551
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC Name5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ncc(N2CCN(Cc3cc(F)c4cc(C)c(=O)[nH]c4c3F)CC2)cc1F
InChIInChI=1S/C22H22F3N5O2/c1-12-7-15-16(23)8-13(18(25)19(15)28-21(12)31)11-29-3-5-30(6-4-29)14-9-17(24)20(27-10-14)22(32)26-2/h7-10H,3-6,11H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyRYNXTPJNQRQXTP-UHFFFAOYSA-N
XLogP2.33
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

6-fluoro-5-[4-[(8-fluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169110715
5-[4-[(6-fluoro-4-oxo-5H-furo[2,3-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172560083
5-[4-[(8-chloro-5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-2-carboxamide
CID 169110661
N-cyclopropyl-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-3-fluoropyridine-2-carboxamide
CID 166088908
5-[4-[(6-fluoro-2-methyl-4-oxo-3,5-dihydro-1H-pyrrolo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
CID 172560072
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582
6-chloro-5-[4-[(5-fluoro-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524536
5-[4-[(3-chloro-8-fluoro-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 169110463
5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981056
6-fluoro-5-[4-[(6-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982748
3-fluoro-N-methyl-5-[4-(1-propylborolan-3-yl)piperazin-1-yl]pyridine-2-carboxamide
CID 176560735
6-fluoro-5-[4-[(6-fluoro-4-oxo-3,5-dihydro-1H-furo[3,4-c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 172560205

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide (CID 169110551) is 5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide is CNC(=O)c1ncc(N2CCN(Cc3cc(F)c4cc(C)c(=O)[nH]c4c3F)CC2)cc1F.
What is the InChIKey of 5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is RYNXTPJNQRQXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c1-12-7-15-16(23)8-13(18(25)19(15)28-21(12)31)11-29-3-5-30(6-4-29)14-9-17(24)20(27-10-14)22(32)26-2/h7-10H,3-6,11H2,1-2H3,(H,26,32)(H,28,31).
What are the key properties of 5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide?
5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5,8-difluoro-3-methyl-2-oxo-1H-quinolin-7-yl)methyl]piperazin-1-yl]-3-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169110551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).