4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide

C41H35N5O2 — CID 53308042

IUPAC4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC1=C(C=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CC6=CC=CC=C6N=C5)C7=CC=C(C=C7)C(=O)NC8CCN(CC8)C
InChIInChI=1S/C41H35N5O2/c1-26-21-34(13-14-35(26)27-7-9-28(10-8-27)41(48)44-33-17-19-45(2)20-18-33)46-39(47)16-12-31-24-43-38-15-11-29(23-36(38)40(31)46)32-22-30-5-3-4-6-37(30)42-25-32/h3-16,21-25,33H,17-20H2,1-2H3,(H,44,48)
InChIKeyOQNZFXCQVQSQDF-UHFFFAOYSA-N
MW629.70 g/mol
LogP7.10
Rot. Bonds5

About 4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide

4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 53308042) has the molecular formula C41H35N5O2 and a molecular weight of 629.70 g/mol. Its IUPAC name is 4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID53308042
Molecular FormulaC41H35N5O2
Molecular Weight629.70 g/mol
Exact Mass629.28
IUPAC Name4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCC1=C(C=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CC6=CC=CC=C6N=C5)C7=CC=C(C=C7)C(=O)NC8CCN(CC8)C
InChIInChI=1S/C41H35N5O2/c1-26-21-34(13-14-35(26)27-7-9-28(10-8-27)41(48)44-33-17-19-45(2)20-18-33)46-39(47)16-12-31-24-43-38-15-11-29(23-36(38)40(31)46)32-22-30-5-3-4-6-37(30)42-25-32/h3-16,21-25,33H,17-20H2,1-2H3,(H,44,48)
InChIKeyOQNZFXCQVQSQDF-UHFFFAOYSA-N
XLogP7.10
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity1160

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.70
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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Related Compounds

Phen-DC 3
CID 44449504
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
SB 414240
CID 9806459
4-methyl-3-(2-(quinolin-3-yl)ethynyl)-N-(3-(trifluoromethyl)-phenyl)benzamide
CID 16109040
1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo(h)(1,6)naphthyridin-2(1H)-one
CID 49836027
SN 6999
CID 149449
Quinolinium dibromide
CID 162087
1-Methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium
CID 128904
XR-9577
CID 15950351
Phen-DC6
CID 124201739
N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 9830361

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide (CID 53308042) is 4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide is CC1=C(C=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CC6=CC=CC=C6N=C5)C7=CC=C(C=C7)C(=O)NC8CCN(CC8)C.
What is the InChIKey of 4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is OQNZFXCQVQSQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N5O2/c1-26-21-34(13-14-35(26)27-7-9-28(10-8-27)41(48)44-33-17-19-45(2)20-18-33)46-39(47)16-12-31-24-43-38-15-11-29(23-36(38)40(31)46)32-22-30-5-3-4-6-37(30)42-25-32/h3-16,21-25,33H,17-20H2,1-2H3,(H,44,48).
What are the key properties of 4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide?
4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 629.70 g/mol, XLogP of 7.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 53308042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).