N-(2-methylquinolin-8-yl)pyrene-1-carboxamide

C27H18N2O — CID 168859940

IUPACN-(2-methylquinolin-8-yl)pyrene-1-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccc4ccc5cccc6ccc3c4c56)c2n1
InChIInChI=1S/C27H18N2O/c1-16-8-9-20-6-3-7-23(26(20)28-16)29-27(30)22-15-13-19-11-10-17-4-2-5-18-12-14-21(22)25(19)24(17)18/h2-15H,1H3,(H,29,30)
InChIKeyWXZCQZBZKMUILK-UHFFFAOYSA-N
MW386.45 g/mol
LogP6.69
Rot. Bonds2

About N-(2-methylquinolin-8-yl)pyrene-1-carboxamide

N-(2-methylquinolin-8-yl)pyrene-1-carboxamide (PubChem CID 168859940) has the molecular formula C27H18N2O and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2-methylquinolin-8-yl)pyrene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-8-yl)pyrene-1-carboxamide
PubChem CID168859940
Molecular FormulaC27H18N2O
Molecular Weight386.45 g/mol
Exact Mass386.14
IUPAC NameN-(2-methylquinolin-8-yl)pyrene-1-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3ccc4ccc5cccc6ccc3c4c56)c2n1
InChIInChI=1S/C27H18N2O/c1-16-8-9-20-6-3-7-23(26(20)28-16)29-27(30)22-15-13-19-11-10-17-4-2-5-18-12-14-21(22)25(19)24(17)18/h2-15H,1H3,(H,29,30)
InChIKeyWXZCQZBZKMUILK-UHFFFAOYSA-N
XLogP6.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
3-hydroxy-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 81440113
5-bromo-2,3,4-trimethyl-N-(2-methylquinolin-8-yl)benzamide
CID 23833429
3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 66482984
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
6-chloro-N-(2-methylquinolin-8-yl)pyrazine-2-carboxamide
CID 103337437
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 55152509
3-acetamido-N-(2-methylquinolin-8-yl)benzamide
CID 110745574
N-(2-methylquinolin-8-yl)-3-phenylbenzamide
CID 171473806

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-8-yl)pyrene-1-carboxamide?
The IUPAC name of N-(2-methylquinolin-8-yl)pyrene-1-carboxamide (CID 168859940) is N-(2-methylquinolin-8-yl)pyrene-1-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-8-yl)pyrene-1-carboxamide?
The canonical SMILES for N-(2-methylquinolin-8-yl)pyrene-1-carboxamide is Cc1ccc2cccc(NC(=O)c3ccc4ccc5cccc6ccc3c4c56)c2n1.
What is the InChIKey of N-(2-methylquinolin-8-yl)pyrene-1-carboxamide?
The InChIKey is WXZCQZBZKMUILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O/c1-16-8-9-20-6-3-7-23(26(20)28-16)29-27(30)22-15-13-19-11-10-17-4-2-5-18-12-14-21(22)25(19)24(17)18/h2-15H,1H3,(H,29,30).
What are the key properties of N-(2-methylquinolin-8-yl)pyrene-1-carboxamide?
N-(2-methylquinolin-8-yl)pyrene-1-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 6.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-8-yl)pyrene-1-carboxamide is sourced from PubChem (CID 168859940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).