(7-methoxy-6-nitroquinazolin-4-yl)methanamine

C10H10N4O3 — CID 66609386

IUPAC(7-methoxy-6-nitroquinazolin-4-yl)methanamine
SMILESCOc1cc2ncnc(CN)c2cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O3/c1-17-10-3-7-6(2-9(10)14(15)16)8(4-11)13-5-12-7/h2-3,5H,4,11H2,1H3
InChIKeyIIYPYVHHUWOVJB-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.01
Rot. Bonds3

About (7-methoxy-6-nitroquinazolin-4-yl)methanamine

(7-methoxy-6-nitroquinazolin-4-yl)methanamine (PubChem CID 66609386) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is (7-methoxy-6-nitroquinazolin-4-yl)methanamine.

Molecular Properties

Compound Name(7-methoxy-6-nitroquinazolin-4-yl)methanamine
PubChem CID66609386
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name(7-methoxy-6-nitroquinazolin-4-yl)methanamine
SMILESCOc1cc2ncnc(CN)c2cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O3/c1-17-10-3-7-6(2-9(10)14(15)16)8(4-11)13-5-12-7/h2-3,5H,4,11H2,1H3
InChIKeyIIYPYVHHUWOVJB-UHFFFAOYSA-N
XLogP1.01
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.01
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

4-chloro-7-ethoxy-6-nitroquinazoline
CID 86727276
N-(5-bromo-2-methoxyphenyl)-7-methoxy-6-nitroquinazolin-4-amine
CID 166086413
N-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-7-methoxy-6-nitroquinazolin-4-amine
CID 164897053
7-methoxy-6-nitroquinoline-3-carbonitrile
CID 57156619
2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine
CID 63598346
7-methoxy-6-nitro-4-[3-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazoline
CID 169230991
2-amino-1-(3,4-dimethoxy-5-nitrophenyl)ethanol
CID 116987737
6,7-dimethoxy-5-nitroquinazoline
CID 142974644
N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 10337538
2-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-6-nitroquinazolin-4-amine
CID 175764396
7-(2-methoxyethoxy)-6-nitroquinazoline
CID 86758317
7-chloro-N-(3-ethynylphenyl)-6-nitroquinazolin-4-amine;N-(3-ethynylphenyl)-7-methoxy-6-nitroquinazolin-4-amine;hydrochloride
CID 158470412

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-6-nitroquinazolin-4-yl)methanamine?
The IUPAC name of (7-methoxy-6-nitroquinazolin-4-yl)methanamine (CID 66609386) is (7-methoxy-6-nitroquinazolin-4-yl)methanamine.
What is the SMILES notation for (7-methoxy-6-nitroquinazolin-4-yl)methanamine?
The canonical SMILES for (7-methoxy-6-nitroquinazolin-4-yl)methanamine is COc1cc2ncnc(CN)c2cc1[N+](=O)[O-].
What is the InChIKey of (7-methoxy-6-nitroquinazolin-4-yl)methanamine?
The InChIKey is IIYPYVHHUWOVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-17-10-3-7-6(2-9(10)14(15)16)8(4-11)13-5-12-7/h2-3,5H,4,11H2,1H3.
What are the key properties of (7-methoxy-6-nitroquinazolin-4-yl)methanamine?
(7-methoxy-6-nitroquinazolin-4-yl)methanamine has a molecular weight of 234.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-6-nitroquinazolin-4-yl)methanamine is sourced from PubChem (CID 66609386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).