2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline

C19H18N4O3 — CID 59213654

IUPAC2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline
SMILESCOc1ccccc1-c1nc(N2CCCC2)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C19H18N4O3/c1-26-17-7-3-2-6-14(17)18-20-16-9-8-13(23(24)25)12-15(16)19(21-18)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyJDNOBWDDEYQIQX-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.81
Rot. Bonds4

About 2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline

2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline (PubChem CID 59213654) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline
PubChem CID59213654
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline
SMILESCOc1ccccc1-c1nc(N2CCCC2)c2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C19H18N4O3/c1-26-17-7-3-2-6-14(17)18-20-16-9-8-13(23(24)25)12-15(16)19(21-18)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyJDNOBWDDEYQIQX-UHFFFAOYSA-N
XLogP3.81
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline?
The IUPAC name of 2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline (CID 59213654) is 2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline?
The canonical SMILES for 2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline is COc1ccccc1-c1nc(N2CCCC2)c2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline?
The InChIKey is JDNOBWDDEYQIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-26-17-7-3-2-6-14(17)18-20-16-9-8-13(23(24)25)12-15(16)19(21-18)22-10-4-5-11-22/h2-3,6-9,12H,4-5,10-11H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline?
2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline has a molecular weight of 350.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-6-nitro-4-pyrrolidin-1-ylquinazoline is sourced from PubChem (CID 59213654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).