N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide

C26H26N4O — CID 143468847

IUPACN-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide
SMILESCc1cc2nc(CNCc3ccccc3)ccc2cc1CCc1cccnc1NC=O
InChIInChI=1S/C26H26N4O/c1-19-14-25-23(11-12-24(30-25)17-27-16-20-6-3-2-4-7-20)15-22(19)10-9-21-8-5-13-28-26(21)29-18-31/h2-8,11-15,18,27H,9-10,16-17H2,1H3,(H,28,29,31)
InChIKeyQAGPGLDPVCWINH-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.58
Rot. Bonds9

About N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide

N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide (PubChem CID 143468847) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide.

Molecular Properties

Compound NameN-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide
PubChem CID143468847
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide
SMILESCc1cc2nc(CNCc3ccccc3)ccc2cc1CCc1cccnc1NC=O
InChIInChI=1S/C26H26N4O/c1-19-14-25-23(11-12-24(30-25)17-27-16-20-6-3-2-4-7-20)15-22(19)10-9-21-8-5-13-28-26(21)29-18-31/h2-8,11-15,18,27H,9-10,16-17H2,1H3,(H,28,29,31)
InChIKeyQAGPGLDPVCWINH-UHFFFAOYSA-N
XLogP4.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide with MolForge

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Related Compounds

5-[[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]methyl]-1-methylimidazolidine-2,4-dione
CID 143468695
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-2-ylmethanamine
CID 63306755
N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine
CID 130854459
N-[(2-ethylpyrimidin-4-yl)methyl]-1-phenylmethanamine
CID 46785098
benzoic acid;N-(3-ethyl-2-pyridinyl)formamide
CID 175520647
N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
CID 11639693
N-(6-methylquinolin-7-yl)formamide
CID 168651780
N-benzylformamide;quinoline
CID 174801934
1-(2-methylquinolin-6-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 105378208
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402
N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide
CID 143218064
3-[(benzylamino)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 864730

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide?
The IUPAC name of N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide (CID 143468847) is N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide.
What is the SMILES notation for N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide?
The canonical SMILES for N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide is Cc1cc2nc(CNCc3ccccc3)ccc2cc1CCc1cccnc1NC=O.
What is the InChIKey of N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide?
The InChIKey is QAGPGLDPVCWINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-19-14-25-23(11-12-24(30-25)17-27-16-20-6-3-2-4-7-20)15-22(19)10-9-21-8-5-13-28-26(21)29-18-31/h2-8,11-15,18,27H,9-10,16-17H2,1H3,(H,28,29,31).
What are the key properties of N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide?
N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide has a molecular weight of 410.52 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide is sourced from PubChem (CID 143468847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).