2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide

C26H30FN5O2 — CID 154584526

IUPAC2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)C3CCCN=C43)CC2)cc1F
InChIInChI=1S/C26H30FN5O2/c1-16-12-17(13-22-23(16)24-20(26(34)30-22)4-3-7-29-24)15-31-8-10-32(11-9-31)18-5-6-19(21(27)14-18)25(33)28-2/h5-6,12-14,20H,3-4,7-11,15H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyRIPXGGJWBCFFHR-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.97
Rot. Bonds4

About 2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide

2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide (PubChem CID 154584526) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide
PubChem CID154584526
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)C3CCCN=C43)CC2)cc1F
InChIInChI=1S/C26H30FN5O2/c1-16-12-17(13-22-23(16)24-20(26(34)30-22)4-3-7-29-24)15-31-8-10-32(11-9-31)18-5-6-19(21(27)14-18)25(33)28-2/h5-6,12-14,20H,3-4,7-11,15H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyRIPXGGJWBCFFHR-UHFFFAOYSA-N
XLogP2.97
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide with MolForge

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Related Compounds

Yqnkitkmolerfy-uhfffaoysa-
CID 10501415
4-[4-[3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]benzamide
CID 126483567
4-[4-[3-(5-amino-7-fluoro-1-oxo-2H-isoquinolin-3-yl)propyl]piperazin-1-yl]-N-methylbenzamide
CID 126483601
(S)-3-(3,4-Difluoro-phenyl)-2-methyl-N-[(S)-1-methyl-2-oxo-5-(1-oxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-propionamide
CID 44354512
8-fluoro-N-(2-morpholinoethyl)-6-oxo-5,6-dihydrophenanthridine-3-carboxamide
CID 9864119
2-Dimethylamino-N-(5-ethyl-6-oxo-5,6-dihydro-phenanthridin-9-yl)-acetamide
CID 10041884
8-Fluoro-6-oxo-5,6-dihydro-phenanthridine-3-carboxylic acid phenethyl-amide
CID 10155422
N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-10-yl]acetamide
CID 10339437
8-(4-((Dimethylamino)methyl)phenyl)-5-fluoro-9-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3 (7H)-one
CID 136056842
8-(4-((dimethylamino)methyl)phenyl)-9-(4-fluorophenyl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CID 136056880
8-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-9-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
CID 136385224
N-[2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]carbonyl-3-oxidanylidene-4H-quinoxalin-2-yl]phenyl]ethanamide
CID 9551426

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide (CID 154584526) is 2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide is CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)C3CCCN=C43)CC2)cc1F.
What is the InChIKey of 2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide?
The InChIKey is RIPXGGJWBCFFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-16-12-17(13-22-23(16)24-20(26(34)30-22)4-3-7-29-24)15-31-8-10-32(11-9-31)18-5-6-19(21(27)14-18)25(33)28-2/h5-6,12-14,20H,3-4,7-11,15H2,1-2H3,(H,28,33)(H,30,34).
What are the key properties of 2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide?
2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide has a molecular weight of 463.56 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-[4-[(10-methyl-5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 154584526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).