N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine

C14H12N4O3 — CID 107143500

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine
SMILESCc1cnc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)o1
InChIInChI=1S/C14H12N4O3/c1-9-7-16-14(21-9)8-15-13-5-2-10-6-11(18(19)20)3-4-12(10)17-13/h2-7H,8H2,1H3,(H,15,17)
InChIKeyQAMMITUOMVFCOY-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.05
Rot. Bonds4

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine (PubChem CID 107143500) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine
PubChem CID107143500
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine
SMILESCc1cnc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)o1
InChIInChI=1S/C14H12N4O3/c1-9-7-16-14(21-9)8-15-13-5-2-10-6-11(18(19)20)3-4-12(10)17-13/h2-7H,8H2,1H3,(H,15,17)
InChIKeyQAMMITUOMVFCOY-UHFFFAOYSA-N
XLogP3.05
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-nitroquinolin-2-amine
CID 103703230
6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine
CID 104577433
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine
CID 133405682
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
6-nitro-N-propylquinolin-2-amine
CID 43450859
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine
CID 133306017
N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 103736676
N-[(3-bromothiophen-2-yl)methyl]-6-nitroquinolin-2-amine
CID 78983744
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitrobenzenesulfonamide
CID 106376760
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine (CID 107143500) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine is Cc1cnc(CNc2ccc3cc([N+](=O)[O-])ccc3n2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine?
The InChIKey is QAMMITUOMVFCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-9-7-16-14(21-9)8-15-13-5-2-10-6-11(18(19)20)3-4-12(10)17-13/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine has a molecular weight of 284.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine is sourced from PubChem (CID 107143500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).