3-chloro-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

C26H30ClN5O2 — CID 154584530

IUPAC3-chloro-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)c(Cl)c1
InChIInChI=1S/C26H30ClN5O2/c1-16-12-17(13-21-23(16)24-19(26(34)30-21)4-3-7-29-24)15-31-8-10-32(11-9-31)22-6-5-18(14-20(22)27)25(33)28-2/h5-6,12-14,19H,3-4,7-11,15H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyDILOOTDQUPKRBB-UHFFFAOYSA-N
MW480.01 g/mol
LogP3.48
Rot. Bonds4

About 3-chloro-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

3-chloro-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 154584530) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 3-chloro-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 Name3-chloro-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 CID154584530
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC Name3-chloro-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)c(Cl)c1
InChIInChI=1S/C26H30ClN5O2/c1-16-12-17(13-21-23(16)24-19(26(34)30-21)4-3-7-29-24)15-31-8-10-32(11-9-31)22-6-5-18(14-20(22)27)25(33)28-2/h5-6,12-14,19H,3-4,7-11,15H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyDILOOTDQUPKRBB-UHFFFAOYSA-N
XLogP3.48
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-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

8-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one
CID 154584510
N-ethyl-3-methyl-4-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]benzamide
CID 154584559
8-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-10-methyl-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one
CID 154584505
10-(hydroxymethyl)-8-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one
CID 154584535
N,3-dimethyl-4-[4-[[(6S)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl]methyl]piperazin-1-yl]benzamide
CID 46864775
8-[[4-(4-fluoro-2-methylphenyl)piperazin-1-yl]methyl]-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one
CID 154584544
3-chloro-N-methyl-4-[4-[(9-oxo-12-thia-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]benzamide
CID 76760521
3-chloro-4-[4-[[(6S)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl]methyl]piperazin-1-yl]-N-propan-2-ylbenzamide;(6S)-11-(hydroxymethyl)-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 67144709
N-ethyl-2-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 154584595
3-fluoro-4-[4-[(8-methoxy-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]-N-methylbenzamide
CID 66716985
N-methyl-4-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]benzamide
CID 66716807
N-methyl-6-[4-[[(6S)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 58324370

Frequently Asked Questions

What is the IUPAC name of 3-chloro-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 3-chloro-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 154584530) is 3-chloro-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 3-chloro-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 3-chloro-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)c(Cl)c1.
What is the InChIKey of 3-chloro-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 DILOOTDQUPKRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-16-12-17(13-21-23(16)24-19(26(34)30-21)4-3-7-29-24)15-31-8-10-32(11-9-31)22-6-5-18(14-20(22)27)25(33)28-2/h5-6,12-14,19H,3-4,7-11,15H2,1-2H3,(H,28,33)(H,30,34).
What are the key properties of 3-chloro-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?
3-chloro-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 480.01 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-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 154584530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).