2-methylbenzamide;quinolin-8-amine

C17H17N3O — CID 174903342

IUPAC2-methylbenzamide;quinolin-8-amine
SMILESCc1ccccc1C(N)=O.Nc1cccc2cccnc12
InChIInChI=1S/C9H8N2.C8H9NO/c10-8-5-1-3-7-4-2-6-11-9(7)8;1-6-4-2-3-5-7(6)8(9)10/h1-6H,10H2;2-5H,1H3,(H2,9,10)
InChIKeyIFQFUXFPNVSZQQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.91
Rot. Bonds1

About 2-methylbenzamide;quinolin-8-amine

2-methylbenzamide;quinolin-8-amine (PubChem CID 174903342) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methylbenzamide;quinolin-8-amine.

Molecular Properties

Compound Name2-methylbenzamide;quinolin-8-amine
PubChem CID174903342
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-methylbenzamide;quinolin-8-amine
SMILESCc1ccccc1C(N)=O.Nc1cccc2cccnc12
InChIInChI=1S/C9H8N2.C8H9NO/c10-8-5-1-3-7-4-2-6-11-9(7)8;1-6-4-2-3-5-7(6)8(9)10/h1-6H,10H2;2-5H,1H3,(H2,9,10)
InChIKeyIFQFUXFPNVSZQQ-UHFFFAOYSA-N
XLogP2.91
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;quinolin-8-amine
CID 91158659
3-amino-2-(quinolin-8-ylamino)benzamide
CID 115933843
copper;bis(2-methylbenzoate);1,10-phenanthroline
CID 139081296
quinolin-8-ylmethyl 2-amino-3-methylbenzoate
CID 24670923
2-methylbenzamide;molecular hydrogen
CID 177161283
4-methyl-2-(quinolin-8-ylmethoxy)benzamide
CID 17419396
carbamoperoxoic acid;quinolin-8-ol
CID 175492056
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide
CID 19141803
2-methylbenzamide;phenol
CID 160508327
6-methylquinoline-7-carboxamide
CID 142343744
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzamide;quinolin-8-amine?
The IUPAC name of 2-methylbenzamide;quinolin-8-amine (CID 174903342) is 2-methylbenzamide;quinolin-8-amine.
What is the SMILES notation for 2-methylbenzamide;quinolin-8-amine?
The canonical SMILES for 2-methylbenzamide;quinolin-8-amine is Cc1ccccc1C(N)=O.Nc1cccc2cccnc12.
What is the InChIKey of 2-methylbenzamide;quinolin-8-amine?
The InChIKey is IFQFUXFPNVSZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C8H9NO/c10-8-5-1-3-7-4-2-6-11-9(7)8;1-6-4-2-3-5-7(6)8(9)10/h1-6H,10H2;2-5H,1H3,(H2,9,10).
What are the key properties of 2-methylbenzamide;quinolin-8-amine?
2-methylbenzamide;quinolin-8-amine has a molecular weight of 279.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzamide;quinolin-8-amine is sourced from PubChem (CID 174903342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).