N-butyl-7-methoxy-3-phenylquinoxalin-2-amine

C19H21N3O — CID 118726543

IUPACN-butyl-7-methoxy-3-phenylquinoxalin-2-amine
SMILESCCCCNc1nc2cc(OC)ccc2nc1-c1ccccc1
InChIInChI=1S/C19H21N3O/c1-3-4-12-20-19-18(14-8-6-5-7-9-14)21-16-11-10-15(23-2)13-17(16)22-19/h5-11,13H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyOIZUVWYZBHCYOB-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.52
Rot. Bonds6

About N-butyl-7-methoxy-3-phenylquinoxalin-2-amine

N-butyl-7-methoxy-3-phenylquinoxalin-2-amine (PubChem CID 118726543) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-butyl-7-methoxy-3-phenylquinoxalin-2-amine.

Molecular Properties

Compound NameN-butyl-7-methoxy-3-phenylquinoxalin-2-amine
PubChem CID118726543
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-butyl-7-methoxy-3-phenylquinoxalin-2-amine
SMILESCCCCNc1nc2cc(OC)ccc2nc1-c1ccccc1
InChIInChI=1S/C19H21N3O/c1-3-4-12-20-19-18(14-8-6-5-7-9-14)21-16-11-10-15(23-2)13-17(16)22-19/h5-11,13H,3-4,12H2,1-2H3,(H,20,22)
InChIKeyOIZUVWYZBHCYOB-UHFFFAOYSA-N
XLogP4.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
Pyrazine-Pyridine Biheteroaryl 15
CID 5330360
1-(7-fluoro-6-methoxy-1-{[2-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)piperidin-3-amine
CID 23646515
4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one
CID 71543088
4-(2-chloroquinazolin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 137645573
4-[2-(Ethylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one
CID 137653815
N-(4-methoxyphenyl)-4-methylquinolin-2-amine
CID 812368
(2,5-Dimethoxy-phenyl)-(4-methyl-quinolin-2-yl)-amine
CID 806171
5-methoxy-2-phenyl-1H-benzimidazole
CID 745079
2-[2-(3-Methoxy-phenylamino)-quinazolin-4-ylamino]-ethanol
CID 11834445

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-methoxy-3-phenylquinoxalin-2-amine?
The IUPAC name of N-butyl-7-methoxy-3-phenylquinoxalin-2-amine (CID 118726543) is N-butyl-7-methoxy-3-phenylquinoxalin-2-amine.
What is the SMILES notation for N-butyl-7-methoxy-3-phenylquinoxalin-2-amine?
The canonical SMILES for N-butyl-7-methoxy-3-phenylquinoxalin-2-amine is CCCCNc1nc2cc(OC)ccc2nc1-c1ccccc1.
What is the InChIKey of N-butyl-7-methoxy-3-phenylquinoxalin-2-amine?
The InChIKey is OIZUVWYZBHCYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-4-12-20-19-18(14-8-6-5-7-9-14)21-16-11-10-15(23-2)13-17(16)22-19/h5-11,13H,3-4,12H2,1-2H3,(H,20,22).
What are the key properties of N-butyl-7-methoxy-3-phenylquinoxalin-2-amine?
N-butyl-7-methoxy-3-phenylquinoxalin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-methoxy-3-phenylquinoxalin-2-amine is sourced from PubChem (CID 118726543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).